R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.560005 15.560005 83.374714 90.000000 90.000000120.000000                   
ATOM  -1: X=0.13536000 Y=0.25204000 Z=0.71784000
          MULT=12          ISPLIT= 8
      -1: X=0.86464000 Y=0.74796000 Z=0.28216000
      -1: X=0.25204000 Y=0.71784000 Z=0.13536000
      -1: X=0.74796000 Y=0.28216000 Z=0.86464000
      -1: X=0.63536000 Y=0.21784000 Z=0.75204000
      -1: X=0.36464000 Y=0.78216000 Z=0.24796000
      -1: X=0.71784000 Y=0.13536000 Z=0.25204000
      -1: X=0.28216000 Y=0.86464000 Z=0.74796000
      -1: X=0.21784000 Y=0.75204000 Z=0.63536000
      -1: X=0.78216000 Y=0.24796000 Z=0.36464000
      -1: X=0.75204000 Y=0.63536000 Z=0.21784000
      -1: X=0.24796000 Y=0.36464000 Z=0.78216000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.46465000 Y=0.03535000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.53535000 Y=0.96465000 Z=0.75000000
      -2: X=0.03535000 Y=0.25000000 Z=0.46465000
      -2: X=0.96465000 Y=0.75000000 Z=0.53535000
      -2: X=0.25000000 Y=0.46465000 Z=0.03535000
      -2: X=0.75000000 Y=0.53535000 Z=0.96465000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.19348000 Y=0.19348000 Z=0.19348000
          MULT= 4          ISPLIT= 4
      -3: X=0.80652000 Y=0.80652000 Z=0.80652000
      -3: X=0.69348000 Y=0.69348000 Z=0.69348000
      -3: X=0.30652000 Y=0.30652000 Z=0.30652000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
N          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000