 O K Cu
   1.0
     4.4856384000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   11.5355129200000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.4115366500000004
 O K Cu
   8   4   4
Direct
   0.0000000000000000  0.8943025000000000  0.9952356200000000
   0.5000000000000000  0.6056975000000000  0.0047643800000000
   0.0000000000000000  0.8943025000000000  0.5047643800000000
   0.5000000000000000  0.6056975000000000  0.4952356200000000
   0.5000000000000000  0.3943025000000000  0.9952356200000000
   0.0000000000000000  0.1056975000000000  0.0047643800000000
   0.5000000000000000  0.3943025000000000  0.5047643800000000
   0.0000000000000000  0.1056975000000000  0.4952356200000000
   0.5000000000000000  0.8044264999999999  0.7500000000000000
   0.0000000000000000  0.6955735000000001  0.2500000000000000
   0.0000000000000000  0.3044265000000000  0.7500000000000000
   0.5000000000000000  0.1955735000000000  0.2500000000000000
   0.0000000000000000  0.9974617600000000  0.2500000000000000
   0.5000000000000000  0.5025382400000000  0.7500000000000000
   0.5000000000000000  0.4974617600000000  0.2500000000000000
   0.0000000000000000  0.0025382400000000  0.7500000000000000