$cell vectors
1.0
 11.4066946326711829    0.0000000000000000    0.0000000000000000
  0.0000000000000000    4.1669980392524382    0.0000000000000000
 -4.7272549381584179    0.0000000000000000   10.0459281056782022
 2 2 6 6 6
Direct
  0.1451000000000000    0.2499999999999997    0.7220999999999999 # Hg1
  0.8548999999999999    0.7500000000000002    0.2779000000000001 # Hg2
  0.4044000000000000    0.2499999999999997    0.2791999999999998 # Rb1
  0.5955999999999999    0.7500000000000002    0.7208000000000001 # Rb2
  0.1203999999999999    0.2499999999999997    0.5792000000000000 # S1
  0.6774999999999995    0.2499999999999997    0.1988999999999998 # S2
  0.0670999999999995    0.2500000000000009    0.8915999999999996 # S3
  0.8795999999999995    0.7500000000000002    0.4207999999999998 # S4
  0.3224999999999997    0.7500000000000002    0.8010999999999998 # S5
  0.9328999999999997    0.7500000000000002    0.1084000000000001 # S6
  0.2748999999999998    0.2499999999999997    0.5271999999999998 # C1
  0.6381999999999997    0.2499999999999997    0.0321999999999998 # C2
  0.9101999999999998    0.2499999999999997    0.7984999999999998 # C3
  0.7251000000000002    0.7500000000000002    0.4728000000000001 # C4
  0.3617999999999997    0.7500000000000002    0.9678000000000001 # C5
  0.0898000000000002    0.7500000000000002    0.2015000000000002 # C6
  0.3866999999999996    0.2499999999999997    0.5515999999999999 # N1
  0.6131999999999996    0.2500000000000009    0.9256999999999997 # N2
  0.8003999999999998    0.2499999999999997    0.7450000000000000 # N3
  0.6132999999999997    0.7500000000000002    0.4484000000000001 # N4
  0.3867999999999999    0.7500000000000002    0.0743000000000002 # N5
  0.1995999999999996    0.7500000000000002    0.2549999999999999 # N6
