$cell vectors
1.0
  9.4159955693786834    0.0000000000000000    0.0000000000000000
  0.0000000000000000    9.4159955693786834    0.0000000000000000
  0.0000000000000000    0.0000000000000000    9.2369956536056641
 8 2 12
Direct
  0.3549000000000000    0.8523000000000003    0.2479999999999998 # Tl1
  0.1477000000000003    0.3549000000000000    0.2479999999999998 # Tl2
  0.6450999999999999    0.1477000000000003    0.2479999999999998 # Tl3
  0.8523000000000003    0.6450999999999999    0.2479999999999998 # Tl4
  0.1450999999999999    0.3523000000000002    0.7479999999999998 # Tl5
  0.8549000000000001    0.6477000000000004    0.7479999999999998 # Tl6
  0.6477000000000004    0.1450999999999999    0.7479999999999998 # Tl7
  0.3523000000000002    0.8549000000000001    0.7479999999999998 # Tl8
  0.0000000000000000    0.0000000000000000    0.9970000000000001 # Hg1
  0.5000000000000000    0.5000000000000000    0.4970000000000001 # Hg2
  0.0000000000000000    0.0000000000000000    1.2848999999999990 # I1
  0.0000000000000000    0.0000000000000000    0.7149999999999996 # I2
  0.3302000000000000    0.1455000000000003    0.0001000000000000 # I3
  0.8545000000000003    0.3302000000000000    0.0001000000000000 # I4
  0.6698000000000004    0.8545000000000003    0.0001000000000000 # I5
  0.1455000000000003    0.6697999999999998    0.0001000000000000 # I6
  0.5000000000000000    0.5000000000000000    0.7848999999999998 # I7
  0.5000000000000000    0.5000000000000000    0.2150000000000002 # I8
  0.1697999999999999    0.6455000000000002    0.5001000000000000 # I9
  0.8302000000000000    0.3545000000000003    0.5001000000000000 # I10
  0.3545000000000003    0.1697999999999999    0.5001000000000000 # I11
  0.6455000000000002    0.8302000000000000    0.5001000000000000 # I12