$cell vectors
1.0
 12.1539942810353114    0.0000000000000000    0.0000000000000000
  0.0000000000000000   12.1539942810353114    0.0000000000000000
  0.0000000000000000    0.0000000000000000   12.1539942810353114
 80 56 96 8
Direct
  0.2500000000000002    0.2500000000000002    0.0420000000000002 # Li1
  0.2500000000000002    0.2500000000000002   -0.0130000000000001 # Li2
  0.3610000000000000    0.3610000000000000    0.3610000000000000 # Li3
  0.3710000000000004    0.3710000000000004    0.8710000000000002 # Li4
  0.2500000000000002    0.7500000000000003    0.5419999999999999 # Li5
  0.2500000000000002    0.7500000000000003    0.4870000000000002 # Li6
  0.3610000000000004    0.8610000000000003    0.8610000000000003 # Li7
  0.3710000000000004    0.8710000000000002    0.3709999999999999 # Li8
  0.7500000000000003    0.2500000000000002    0.5419999999999999 # Li9
  0.7500000000000003    0.2500000000000002    0.4870000000000002 # Li10
  0.8610000000000003    0.3610000000000000    0.8610000000000003 # Li11
  0.7500000000000003    0.7500000000000003    0.0420000000000002 # Li12
  0.7500000000000003    0.7500000000000003   -0.0130000000000001 # Li13
  0.8610000000000003    0.8610000000000003    0.3610000000000000 # Li14
  0.8710000000000002    0.8710000000000002    0.8710000000000002 # Li15
  0.0420000000000002    0.2500000000000002    0.2500000000000002 # Li16
 -0.0130000000000001    0.2500000000000002    0.2500000000000002 # Li17
  0.8710000000000002    0.3710000000000004    0.3709999999999999 # Li18
  0.0420000000000002    0.7500000000000003    0.7500000000000003 # Li19
 -0.0129999999999997    0.7500000000000003    0.7500000000000003 # Li20
  0.5420000000000004    0.2500000000000002    0.7500000000000003 # Li21
  0.4870000000000002    0.2500000000000002    0.7500000000000003 # Li22
  0.5420000000000004    0.7500000000000003    0.2500000000000002 # Li23
  0.4870000000000002    0.7500000000000003    0.2500000000000002 # Li24
  0.2500000000000002    0.0420000000000002    0.2500000000000002 # Li25
  0.2500000000000002   -0.0130000000000001    0.2500000000000002 # Li26
  0.2500000000000002    0.5420000000000004    0.7500000000000003 # Li27
  0.2500000000000002    0.4870000000000002    0.7500000000000003 # Li28
  0.7500000000000003    0.0420000000000002    0.7500000000000003 # Li29
  0.7500000000000003   -0.0130000000000001    0.7500000000000003 # Li30
  0.7500000000000003    0.5419999999999999    0.2500000000000002 # Li31
  0.7500000000000003    0.4870000000000002    0.2500000000000002 # Li32
  0.7500000000000003    0.9580000000000000    0.2500000000000002 # Li33
  0.7500000000000003    1.0130000000000003    0.2500000000000002 # Li34
  0.6390000000000001    0.6390000000000001    0.3610000000000000 # Li35
  0.6290000000000002    0.1289999999999999    0.3709999999999999 # Li36
  0.7500000000000003    0.4580000000000001    0.7500000000000003 # Li37
  0.7500000000000003    0.5130000000000003    0.7500000000000003 # Li38
  0.6390000000000001    0.1390000000000003    0.8610000000000003 # Li39
  0.6290000000000002    0.6290000000000002    0.8710000000000002 # Li40
  0.2500000000000002    0.9580000000000004    0.7500000000000003 # Li41
  0.2500000000000002    1.0130000000000003    0.7500000000000003 # Li42
  0.1390000000000003    0.6390000000000001    0.8610000000000003 # Li43
  0.1289999999999999    0.1289999999999999    0.8710000000000002 # Li44
  0.2500000000000002    0.4580000000000001    0.2500000000000002 # Li45
  0.2500000000000002    0.5129999999999999    0.2500000000000002 # Li46
  0.1390000000000003    0.1390000000000003    0.3610000000000000 # Li47
  0.1289999999999999    0.6290000000000002    0.3709999999999999 # Li48
  0.3610000000000004    0.6390000000000001    0.6390000000000001 # Li49
  0.8710000000000002    0.6290000000000002    0.6290000000000002 # Li50
  0.3610000000000000    0.1390000000000003    0.1389999999999998 # Li51
  0.8710000000000002    0.1289999999999999    0.1289999999999999 # Li52
  0.8610000000000003    0.6390000000000001    0.1389999999999998 # Li53
  0.3710000000000004    0.6290000000000002    0.1289999999999999 # Li54
  0.8610000000000003    0.1390000000000003    0.6390000000000001 # Li55
  0.3710000000000004    0.1289999999999999    0.6290000000000002 # Li56
  0.6390000000000001    0.3610000000000000    0.6390000000000001 # Li57
  0.6290000000000002    0.8710000000000002    0.6290000000000002 # Li58
  0.6390000000000001    0.8610000000000003    0.1389999999999998 # Li59
  0.6290000000000002    0.3709999999999999    0.1289999999999999 # Li60
  0.1390000000000003    0.3610000000000000    0.1389999999999998 # Li61
  0.1289999999999999    0.8710000000000002    0.1289999999999999 # Li62
  0.1390000000000003    0.8610000000000003    0.6390000000000001 # Li63
  0.1289999999999999    0.3710000000000004    0.6290000000000002 # Li64
  0.9580000000000000    0.7500000000000003    0.2500000000000002 # Li65
  1.0130000000000003    0.7500000000000003    0.2500000000000002 # Li66
  0.9580000000000000    0.2500000000000002    0.7500000000000003 # Li67
  1.0130000000000003    0.2500000000000002    0.7500000000000003 # Li68
  0.4580000000000001    0.7500000000000003    0.7500000000000003 # Li69
  0.5130000000000003    0.7500000000000003    0.7500000000000003 # Li70
  0.4580000000000001    0.2500000000000002    0.2500000000000002 # Li71
  0.5129999999999999    0.2500000000000002    0.2500000000000002 # Li72
  0.2500000000000002    0.7500000000000003    0.9580000000000000 # Li73
  0.2500000000000002    0.7500000000000003    1.0130000000000003 # Li74
  0.2500000000000002    0.2500000000000002    0.4580000000000001 # Li75
  0.2500000000000002    0.2500000000000002    0.5129999999999999 # Li76
  0.7500000000000003    0.7500000000000003    0.4580000000000001 # Li77
  0.7500000000000003    0.7500000000000003    0.5129999999999999 # Li78
  0.7500000000000003    0.2500000000000002    0.9580000000000000 # Li79
  0.7500000000000003    0.2500000000000002    1.0130000000000003 # Li80
  0.0000000000000000    0.0000000000000000    0.2500000000000002 # B1
  0.0994000000000000    0.0994000000000000    0.0994000000000000 # B2
  0.1005000000000001    0.1005000000000001    0.6005000000000000 # B3
  0.0000000000000000    0.5000000000000003    0.7500000000000003 # B4
  0.0994000000000000    0.5994000000000003    0.5994000000000003 # B5
  0.1005000000000001    0.6005000000000000    0.1005000000000001 # B6
  0.5000000000000003    0.0000000000000000    0.7500000000000003 # B7
  0.5994000000000003    0.0994000000000000    0.5994000000000003 # B8
  0.5000000000000003    0.5000000000000003    0.2500000000000002 # B9
  0.5994000000000003    0.5994000000000003    0.0994000000000000 # B10
  0.6005000000000004    0.6005000000000004    0.6005000000000000 # B11
  0.2500000000000002    0.0000000000000000    0.0000000000000000 # B12
  0.6005000000000000    0.1005000000000001    0.1005000000000001 # B13
  0.2500000000000002    0.5000000000000003    0.4999999999999998 # B14
  0.7500000000000003    0.0000000000000000    0.5000000000000003 # B15
  0.7500000000000003    0.5000000000000003    0.0000000000000000 # B16
  0.0000000000000000    0.2500000000000002    0.0000000000000000 # B17
  0.0000000000000000    0.7500000000000003    0.4999999999999998 # B18
  0.5000000000000003    0.2500000000000002    0.5000000000000003 # B19
  0.5000000000000003    0.7500000000000003    0.0000000000000000 # B20
  0.0000000000000000    0.7500000000000003    0.0000000000000000 # B21
  0.9006000000000001    0.9006000000000001    0.0994000000000000 # B22
  0.8995000000000003    0.3995000000000001    0.1005000000000001 # B23
  0.0000000000000000    0.2500000000000002    0.4999999999999998 # B24
  0.9006000000000001    0.4006000000000002    0.5994000000000003 # B25
  0.8995000000000003    0.8995000000000003    0.6005000000000000 # B26
  0.5000000000000003    0.7500000000000003    0.5000000000000003 # B27
  0.4006000000000002    0.9006000000000001    0.5994000000000003 # B28
  0.3995000000000001    0.3995000000000001    0.6005000000000000 # B29
  0.5000000000000003    0.2500000000000002    0.0000000000000000 # B30
  0.4006000000000002    0.4006000000000002    0.0994000000000000 # B31
  0.3995000000000001    0.8995000000000003    0.1005000000000001 # B32
  0.0994000000000000    0.9006000000000005    0.9006000000000001 # B33
  0.6005000000000004    0.8995000000000003    0.8995000000000003 # B34
  0.0994000000000000    0.4006000000000002    0.4006000000000002 # B35
  0.6005000000000000    0.3995000000000001    0.3995000000000001 # B36
  0.5994000000000003    0.9006000000000001    0.4006000000000002 # B37
  0.1005000000000001    0.8995000000000003    0.3995000000000001 # B38
  0.5994000000000003    0.4006000000000002    0.9006000000000001 # B39
  0.1005000000000001    0.3995000000000001    0.8995000000000003 # B40
  0.9006000000000001    0.0994000000000000    0.9006000000000001 # B41
  0.8995000000000003    0.6005000000000004    0.8995000000000003 # B42
  0.9006000000000001    0.5994000000000003    0.4006000000000002 # B43
  0.8995000000000003    0.1005000000000001    0.3995000000000001 # B44
  0.4006000000000002    0.0994000000000000    0.4006000000000002 # B45
  0.3995000000000001    0.6005000000000004    0.3995000000000001 # B46
  0.4006000000000002    0.5994000000000003    0.9006000000000001 # B47
  0.3995000000000001    0.1005000000000001    0.8995000000000003 # B48
  0.7500000000000003    0.0000000000000000    0.0000000000000000 # B49
  0.7500000000000003    0.5000000000000003    0.4999999999999998 # B50
  0.2500000000000002    0.0000000000000000    0.5000000000000003 # B51
  0.2500000000000002    0.5000000000000003    0.0000000000000000 # B52
  0.0000000000000000    0.0000000000000000    0.7500000000000003 # B53
  0.0000000000000000    0.5000000000000003    0.2500000000000002 # B54
  0.5000000000000003    0.0000000000000000    0.2500000000000002 # B55
  0.5000000000000003    0.5000000000000003    0.7500000000000003 # B56
  0.0232000000000001    0.0985000000000000    0.1823000000000003 # O1
  0.0217999999999999    0.1811000000000001    0.5977999999999999 # O2
  0.0232000000000001    0.5985000000000003    0.6823000000000001 # O3
  0.0217999999999999    0.6811000000000003    0.0978000000000001 # O4
  0.5232000000000004    0.0985000000000000    0.6823000000000001 # O5
  0.5218000000000002    0.1811000000000001    0.0978000000000001 # O6
  0.5232000000000004    0.5985000000000003    0.1823000000000003 # O7
  0.5218000000000002    0.6811000000000003    0.5978000000000003 # O8
  0.1823000000000003    0.0232000000000001    0.0985000000000000 # O9
  0.5978000000000003    0.0217999999999999    0.1811000000000001 # O10
  0.1823000000000003    0.5232000000000004    0.5985000000000003 # O11
  0.5978000000000003    0.5218000000000002    0.6811000000000003 # O12
  0.6823000000000001    0.0232000000000001    0.5985000000000003 # O13
  0.0978000000000001    0.0218000000000003    0.6811000000000003 # O14
  0.6823000000000001    0.5232000000000004    0.0985000000000000 # O15
  0.0978000000000001    0.5218000000000002    0.1811000000000001 # O16
  0.0985000000000000    0.1823000000000003    0.0232000000000001 # O17
  0.1811000000000001    0.5978000000000003    0.0217999999999999 # O18
  0.0985000000000000    0.6823000000000001    0.5232000000000000 # O19
  0.1811000000000001    0.0978000000000001    0.5218000000000002 # O20
  0.5985000000000003    0.1823000000000003    0.5232000000000004 # O21
  0.6811000000000003    0.5978000000000003    0.5218000000000002 # O22
  0.5985000000000003    0.6823000000000001    0.0232000000000001 # O23
  0.6811000000000003    0.0978000000000001    0.0217999999999999 # O24
  0.9015000000000003    0.8177000000000001    0.0232000000000001 # O25
  0.8189000000000001    0.4022000000000002    0.0217999999999999 # O26
  0.9015000000000003    0.3177000000000000    0.5232000000000000 # O27
  0.8189000000000001    0.9022000000000001    0.5218000000000002 # O28
  0.4015000000000002    0.8177000000000001    0.5232000000000004 # O29
  0.3189000000000001    0.4022000000000002    0.5218000000000002 # O30
  0.4015000000000002    0.3177000000000000    0.0232000000000001 # O31
  0.3189000000000001    0.9022000000000001    0.0217999999999999 # O32
  0.1823000000000003    0.9768000000000003    0.9015000000000003 # O33
  0.5978000000000003    0.9782000000000003    0.8189000000000001 # O34
  0.1823000000000003    0.4768000000000002    0.4014999999999999 # O35
  0.5978000000000003    0.4782000000000004    0.3188999999999997 # O36
  0.6823000000000001    0.9768000000000003    0.4015000000000002 # O37
  0.0978000000000001    0.9782000000000003    0.3189000000000001 # O38
  0.6823000000000001    0.4768000000000002    0.9015000000000003 # O39
  0.0978000000000001    0.4782000000000004    0.8189000000000001 # O40
  0.9015000000000003    0.1823000000000003    0.9768000000000003 # O41
  0.8189000000000001    0.5978000000000003    0.9782000000000003 # O42
  0.9015000000000005    0.6823000000000001    0.4768000000000002 # O43
  0.8189000000000001    0.0978000000000001    0.4782000000000000 # O44
  0.4015000000000002    0.1823000000000003    0.4768000000000002 # O45
  0.3189000000000001    0.5978000000000003    0.4782000000000000 # O46
  0.4015000000000002    0.6823000000000006    0.9768000000000003 # O47
  0.3189000000000001    0.0978000000000001    0.9782000000000003 # O48
  0.8177000000000001    0.9768000000000003    0.0985000000000000 # O49
  0.4022000000000002    0.9782000000000003    0.1811000000000001 # O50
  0.8177000000000001    0.4768000000000002    0.5985000000000003 # O51
  0.4022000000000002    0.4782000000000000    0.6811000000000003 # O52
  0.3177000000000000    0.9768000000000003    0.5985000000000003 # O53
  0.9022000000000001    0.9782000000000003    0.6811000000000003 # O54
  0.3177000000000000    0.4768000000000002    0.0985000000000000 # O55
  0.9022000000000001    0.4782000000000000    0.1811000000000001 # O56
  0.8177000000000001    0.0232000000000001    0.9015000000000003 # O57
  0.4022000000000002    0.0218000000000003    0.8189000000000001 # O58
  0.8177000000000001    0.5232000000000004    0.4014999999999999 # O59
  0.4022000000000002    0.5218000000000002    0.3188999999999997 # O60
  0.3177000000000000    0.0232000000000001    0.4015000000000002 # O61
  0.9022000000000001    0.0217999999999999    0.3189000000000001 # O62
  0.3177000000000000    0.5232000000000004    0.9015000000000005 # O63
  0.9022000000000001    0.5218000000000002    0.8189000000000001 # O64
  0.0985000000000000    0.8177000000000001    0.9768000000000003 # O65
  0.1811000000000001    0.4022000000000002    0.9782000000000003 # O66
  0.0985000000000000    0.3177000000000000    0.4768000000000002 # O67
  0.1811000000000001    0.9022000000000001    0.4782000000000000 # O68
  0.5985000000000003    0.8177000000000001    0.4768000000000002 # O69
  0.6811000000000003    0.4022000000000002    0.4782000000000000 # O70
  0.5985000000000003    0.3177000000000000    0.9768000000000003 # O71
  0.6811000000000003    0.9022000000000003    0.9782000000000003 # O72
  0.9768000000000003    0.9015000000000003    0.1823000000000003 # O73
  0.9782000000000003    0.8189000000000001    0.5977999999999999 # O74
  0.9768000000000003    0.4015000000000002    0.6823000000000001 # O75
  0.9782000000000003    0.3189000000000001    0.0978000000000001 # O76
  0.4768000000000002    0.9015000000000005    0.6823000000000001 # O77
  0.4782000000000004    0.8189000000000001    0.0978000000000001 # O78
  0.4768000000000002    0.4015000000000002    0.1823000000000003 # O79
  0.4782000000000004    0.3189000000000001    0.5978000000000003 # O80
  0.0232000000000001    0.9015000000000005    0.8177000000000001 # O81
  0.0218000000000003    0.8189000000000001    0.4022000000000002 # O82
  0.0232000000000001    0.4015000000000002    0.3177000000000000 # O83
  0.0218000000000003    0.3189000000000001    0.9022000000000001 # O84
  0.5232000000000004    0.9015000000000003    0.3177000000000000 # O85
  0.5218000000000002    0.8189000000000004    0.9022000000000001 # O86
  0.5232000000000004    0.4015000000000002    0.8177000000000001 # O87
  0.5218000000000002    0.3189000000000001    0.4022000000000002 # O88
  0.9768000000000003    0.0985000000000000    0.8177000000000001 # O89
  0.9782000000000003    0.1811000000000001    0.4022000000000002 # O90
  0.9768000000000003    0.5985000000000003    0.3177000000000000 # O91
  0.9782000000000003    0.6811000000000003    0.9022000000000001 # O92
  0.4768000000000002    0.0985000000000000    0.3177000000000000 # O93
  0.4782000000000004    0.1811000000000001    0.9022000000000001 # O94
  0.4768000000000006    0.5985000000000003    0.8177000000000001 # O95
  0.4782000000000004    0.6811000000000003    0.4022000000000002 # O96
  0.2500000000000002    0.2500000000000002    0.2500000000000002 # Cl1
  0.7500000000000003    0.7500000000000003    0.7500000000000003 # Cl2
  0.2500000000000002    0.7500000000000003    0.7500000000000003 # Cl3
  0.7500000000000003    0.2500000000000002    0.2500000000000002 # Cl4
  0.7500000000000003    0.2500000000000002    0.7500000000000003 # Cl5
  0.2500000000000002    0.7500000000000003    0.2500000000000002 # Cl6
  0.7500000000000003    0.7500000000000003    0.2500000000000002 # Cl7
  0.2500000000000002    0.2500000000000002    0.7500000000000003 # Cl8
