P   LATTICE,NONEQUIV.ATOMS   6  113 P-421m                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.209212 18.209212 12.189867 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16030000 Y=0.66030000 Z=0.50220000
          MULT= 4          ISPLIT= 8
      -1: X=0.66030000 Y=0.83970000 Z=0.49780000
      -1: X=0.83970000 Y=0.33970000 Z=0.50220000
      -1: X=0.33970000 Y=0.16030000 Z=0.49780000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT= 2.43        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.62510000 Y=0.12510000 Z=0.93040000
          MULT= 4          ISPLIT= 8
      -3: X=0.12510000 Y=0.37490000 Z=0.06960000
      -3: X=0.37490000 Y=0.87490000 Z=0.93040000
      -3: X=0.87490000 Y=0.62510000 Z=0.06960000
Ge         NPT=  781  R0=.000050000 RMT= 1.83        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.63530000 Y=0.13530000 Z=0.26350000
          MULT= 4          ISPLIT= 8
      -4: X=0.13530000 Y=0.36470000 Z=0.73650000
      -4: X=0.36470000 Y=0.86470000 Z=0.26350000
      -4: X=0.86470000 Y=0.63530000 Z=0.73650000
S          NPT=  781  R0=.000100000 RMT= 1.87        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.06210000 Y=0.18000000 Z=0.22820000
          MULT= 8          ISPLIT= 8
      -5: X=0.18000000 Y=0.93790000 Z=0.77180000
      -5: X=0.56210000 Y=0.32000000 Z=0.77180000
      -5: X=0.93790000 Y=0.82000000 Z=0.22820000
      -5: X=0.32000000 Y=0.43790000 Z=0.22820000
      -5: X=0.82000000 Y=0.06210000 Z=0.77180000
      -5: X=0.43790000 Y=0.68000000 Z=0.77180000
      -5: X=0.68000000 Y=0.56210000 Z=0.22820000
S          NPT=  781  R0=.000100000 RMT= 1.87        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.50000000 Z=0.18300000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.00000000 Z=0.81700000
O          NPT=  781  R0=.000100000 RMT= 1.66        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000