 Cu Se Ba
   1.0
     9.4058047899999995    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.1562804900000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000   10.6657184399999991
 Cu Se Ba
   8   8   4
Direct
   0.0793956000000000  0.2500000000000000  0.4574230000000000
   0.9206044000000000  0.7500000000000000  0.5425770000000000
   0.4206044000000000  0.7500000000000000  0.9574230000000000
   0.5793956000000000  0.2500000000000000  0.0425770000000000
   0.9461296700000000  0.7500000000000000  0.1140054100000000
   0.0538703300000000  0.2500000000000000  0.8859945900000000
   0.4461296700000000  0.7500000000000000  0.3859945900000000
   0.5538703300000001  0.2500000000000000  0.6140054100000000
   0.8430133700000000  0.2500000000000000  0.0397131000000000
   0.1569866300000000  0.7500000000000000  0.9602869000000001
   0.6569866300000000  0.7500000000000000  0.5397130999999999
   0.3430133700000000  0.2500000000000000  0.4602869000000000
   0.5255804800000000  0.7500000000000000  0.1681627100000000
   0.4744195200000000  0.2500000000000000  0.8318372900000000
   0.0255804800000000  0.7500000000000000  0.3318372900000000
   0.9744195200000000  0.2500000000000000  0.6681627100000000
   0.7570221800000000  0.7500000000000000  0.8241794900000000
   0.2429778200000000  0.2500000000000000  0.1758205100000000
   0.2570221800000000  0.7500000000000000  0.6758205100000000
   0.7429778200000000  0.2500000000000000  0.3241794900000000