P   LATTICE,NONEQUIV.ATOMS   9   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.255544 31.479814 10.257811 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.48870000 Y=0.57720000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.51130000 Y=0.42280000 Z=0.50000000
      -1: X=0.01130000 Y=0.57720000 Z=0.50000000
      -1: X=0.98870000 Y=0.42280000 Z=0.00000000
Bi         NPT=  781  R0=.000005000 RMT= 2.24        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=0.02110000 Y=0.07480000 Z=0.00900000
          MULT= 4          ISPLIT= 8
      -2: X=0.97890000 Y=0.92520000 Z=0.50900000
      -2: X=0.47890000 Y=0.07480000 Z=0.50900000
      -2: X=0.52110000 Y=0.92520000 Z=0.00900000
Bi         NPT=  781  R0=.000005000 RMT= 2.24        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=0.50900000 Y=0.24640000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.49100000 Y=0.75360000 Z=0.50000000
      -3: X=0.99100000 Y=0.24640000 Z=0.50000000
      -3: X=0.00900000 Y=0.75360000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 1.85        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00400000 Y=0.13360000 Z=0.43700000
          MULT= 4          ISPLIT= 8
      -4: X=0.99600000 Y=0.86640000 Z=0.93700000
      -4: X=0.49600000 Y=0.13360000 Z=0.93700000
      -4: X=0.50400000 Y=0.86640000 Z=0.43700000
O          NPT=  781  R0=.000100000 RMT= 1.67        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=0.74300000 Y=0.00150000 Z=0.24600000
          MULT= 4          ISPLIT= 8
      -5: X=0.25700000 Y=0.99850000 Z=0.74600000
      -5: X=0.75700000 Y=0.00150000 Z=0.74600000
      -5: X=0.24300000 Y=0.99850000 Z=0.24600000
O          NPT=  781  R0=.000100000 RMT= 1.67        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=0.26400000 Y=0.50580000 Z=0.24600000
          MULT= 4          ISPLIT= 8
      -6: X=0.73600000 Y=0.49420000 Z=0.74600000
      -6: X=0.23600000 Y=0.50580000 Z=0.74600000
      -6: X=0.76400000 Y=0.49420000 Z=0.24600000
O          NPT=  781  R0=.000100000 RMT= 1.67        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=0.71300000 Y=0.22880000 Z=0.27300000
          MULT= 4          ISPLIT= 8
      -7: X=0.28700000 Y=0.77120000 Z=0.77300000
      -7: X=0.78700000 Y=0.22880000 Z=0.77300000
      -7: X=0.21300000 Y=0.77120000 Z=0.27300000
O          NPT=  781  R0=.000100000 RMT= 1.67        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=0.21010000 Y=0.24860000 Z=0.19000000
          MULT= 4          ISPLIT= 8
      -8: X=0.78990000 Y=0.75140000 Z=0.69000000
      -8: X=0.28990000 Y=0.24860000 Z=0.69000000
      -8: X=0.71010000 Y=0.75140000 Z=0.19000000
O          NPT=  781  R0=.000100000 RMT= 1.67        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=0.46100000 Y=0.63150000 Z=0.47500000
          MULT= 4          ISPLIT= 8
      -9: X=0.53900000 Y=0.36850000 Z=0.97500000
      -9: X=0.03900000 Y=0.63150000 Z=0.97500000
      -9: X=0.96100000 Y=0.36850000 Z=0.47500000
F          NPT=  781  R0=.000100000 RMT= 1.87        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000