$cell vectors 1.0 8.4839960079236114 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.4839960079236114 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.8129972647406838 4 8 16 Direct 0.0000000000000000 0.0000000000000000 0.1763000000000004 # Cu1 0.4999999999999999 0.4999999999999999 0.1710000000000003 # Cu2 0.4999999999999999 0.4999999999999999 0.6763000000000005 # Cu3 0.0000000000000000 0.0000000000000000 0.6710000000000004 # Cu4 0.1682999999999998 0.3316000000000002 0.0000000000000000 # Bi1 0.6683000000000004 0.8316000000000002 0.4999999999999999 # Bi2 0.6684000000000005 0.1682999999999998 0.0000000000000000 # Bi3 0.1683999999999998 0.6683000000000004 0.4999999999999999 # Bi4 0.8317000000000003 0.6684000000000005 0.0000000000000000 # Bi5 0.3317000000000001 0.1683999999999998 0.4999999999999999 # Bi6 0.3316000000000002 0.8317000000000003 0.0000000000000000 # Bi7 0.8316000000000002 0.3317000000000001 0.4999999999999999 # Bi8 0.0979999999999999 0.2030000000000002 0.6540000000000001 # O1 0.2019999999999998 0.1009999999999999 0.1609999999999996 # O2 0.5979999999999999 0.7030000000000002 0.1540000000000001 # O3 0.7020000000000004 0.6010000000000006 0.6609999999999996 # O4 0.7970000000000004 0.0979999999999999 0.6540000000000001 # O5 0.8990000000000001 0.2019999999999998 0.1609999999999996 # O6 0.2970000000000004 0.5979999999999999 0.1540000000000001 # O7 0.3990000000000001 0.7020000000000004 0.6609999999999996 # O8 0.9020000000000000 0.7970000000000004 0.6540000000000001 # O9 0.7980000000000003 0.8990000000000001 0.1609999999999996 # O10 0.4020000000000001 0.2969999999999998 0.1540000000000001 # O11 0.2980000000000002 0.3990000000000001 0.6609999999999996 # O12 0.2030000000000002 0.9020000000000000 0.6540000000000001 # O13 0.1009999999999999 0.7980000000000003 0.1609999999999996 # O14 0.7030000000000002 0.4020000000000001 0.1540000000000001 # O15 0.6010000000000006 0.2980000000000002 0.6609999999999996 # O16