P   LATTICE,NONEQUIV.ATOMS   9   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.373841 30.663830 10.418249 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.48100000 Y=0.57690000 Z=0.01700000
          MULT= 4          ISPLIT= 8
      -1: X=0.51900000 Y=0.42310000 Z=0.51700000
      -1: X=0.01900000 Y=0.57690000 Z=0.51700000
      -1: X=0.98100000 Y=0.42310000 Z=0.01700000
Bi         NPT=  781  R0=.000005000 RMT= 2.18        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.01700000 Y=0.07860000 Z=0.01100000
          MULT= 4          ISPLIT= 8
      -2: X=0.98300000 Y=0.92140000 Z=0.51100000
      -2: X=0.48300000 Y=0.07860000 Z=0.51100000
      -2: X=0.51700000 Y=0.92140000 Z=0.01100000
Bi         NPT=  781  R0=.000005000 RMT= 2.18        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.49900000 Y=0.24790000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.50100000 Y=0.75210000 Z=0.50000000
      -3: X=0.00100000 Y=0.24790000 Z=0.50000000
      -3: X=0.99900000 Y=0.75210000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 1.75        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04900000 Y=0.14280000 Z=0.40900000
          MULT= 4          ISPLIT= 8
      -4: X=0.95100000 Y=0.85720000 Z=0.90900000
      -4: X=0.45100000 Y=0.14280000 Z=0.90900000
      -4: X=0.54900000 Y=0.85720000 Z=0.40900000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.75900000 Y=0.00440000 Z=0.22900000
          MULT= 4          ISPLIT= 8
      -5: X=0.24100000 Y=0.99560000 Z=0.72900000
      -5: X=0.74100000 Y=0.00440000 Z=0.72900000
      -5: X=0.25900000 Y=0.99560000 Z=0.22900000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.24200000 Y=0.50480000 Z=0.22800000
          MULT= 4          ISPLIT= 8
      -6: X=0.75800000 Y=0.49520000 Z=0.72800000
      -6: X=0.25800000 Y=0.50480000 Z=0.72800000
      -6: X=0.74200000 Y=0.49520000 Z=0.22800000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.69800000 Y=0.22970000 Z=0.24900000
          MULT= 4          ISPLIT= 8
      -7: X=0.30200000 Y=0.77030000 Z=0.74900000
      -7: X=0.80200000 Y=0.22970000 Z=0.74900000
      -7: X=0.19800000 Y=0.77030000 Z=0.24900000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.20700000 Y=0.26240000 Z=0.14000000
          MULT= 4          ISPLIT= 8
      -8: X=0.79300000 Y=0.73760000 Z=0.64000000
      -8: X=0.29300000 Y=0.26240000 Z=0.64000000
      -8: X=0.70700000 Y=0.73760000 Z=0.14000000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.42800000 Y=0.63980000 Z=0.42500000
          MULT= 4          ISPLIT= 8
      -9: X=0.57200000 Y=0.36020000 Z=0.92500000
      -9: X=0.07200000 Y=0.63980000 Z=0.92500000
      -9: X=0.92800000 Y=0.36020000 Z=0.42500000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000