 Li C O Cu Ba
   1.0
     5.7354183799999996    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.7354183799999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000   15.2237167600000003
 Li C O Cu Ba
   2   4  20   2   8
Direct
   0.5000000000000000  0.5000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.7266843700000001
   0.0000000000000000  0.0000000000000000  0.7733156300000000
   0.0000000000000000  0.0000000000000000  0.2266843700000000
   0.5000000000000000  0.5000000000000000  0.2733156300000000
   0.6397412200000000  0.6397412200000000  0.7672997900000000
   0.5000000000000000  0.5000000000000000  0.6406156599999999
   0.8602587800000000  0.1397412200000000  0.7327002100000000
   0.3602587800000000  0.3602587800000000  0.7672997900000000
   0.1397412200000000  0.8602587800000000  0.7327002100000000
   0.7718468199999999  0.7718468199999999  0.5016887100000000
   0.7281531800000001  0.2718468200000000  0.9983112900000000
   0.2718468200000000  0.7281531800000001  0.9983112900000000
   0.2281531800000000  0.2281531800000000  0.5016887100000000
   0.0000000000000000  0.0000000000000000  0.8593843400000000
   0.1397412200000000  0.1397412200000000  0.2672997900000000
   0.0000000000000000  0.0000000000000000  0.1406156600000000
   0.3602587800000000  0.6397412200000000  0.2327002100000000
   0.8602587800000000  0.8602587800000000  0.2672997900000000
   0.6397412200000000  0.3602587800000000  0.2327002100000000
   0.2718468200000000  0.2718468200000000  0.0016887100000000
   0.2281531800000000  0.7718468199999999  0.4983112900000000
   0.7718468199999999  0.2281531800000000  0.4983112900000000
   0.7281531800000001  0.7281531800000001  0.0016887100000000
   0.5000000000000000  0.5000000000000000  0.3593843400000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.0000000000000000  0.8818619100000000
   0.5000000000000000  0.0000000000000000  0.6181380900000000
   0.0000000000000000  0.5000000000000000  0.6181380900000000
   0.0000000000000000  0.5000000000000000  0.8818619100000000
   0.0000000000000000  0.5000000000000000  0.3818619100000000
   0.0000000000000000  0.5000000000000000  0.1181380900000000
   0.5000000000000000  0.0000000000000000  0.1181380900000000
   0.5000000000000000  0.0000000000000000  0.3818619100000000