P   LATTICE,NONEQUIV.ATOMS   7   26 Pmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.720967 10.427509 10.523885 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25070000 Y=0.24400000 Z=0.23030000
          MULT= 4          ISPLIT= 8
      -1: X=0.74930000 Y=0.75600000 Z=0.73030000
      -1: X=0.74930000 Y=0.24400000 Z=0.23030000
      -1: X=0.25070000 Y=0.75600000 Z=0.73030000
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  -2: X=0.00000000 Y=0.73920000 Z=0.24770000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.26080000 Z=0.74770000
Na         NPT=  781  R0=.000100000 RMT= 2.23        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.50000000 Y=0.25850000 Z=0.72000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.74150000 Z=0.22000000
Na         NPT=  781  R0=.000100000 RMT= 2.23        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.30960000 Z=0.25990000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.69040000 Z=0.75990000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.50000000 Y=0.18950000 Z=0.27870000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.81050000 Z=0.77870000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.28040000 Y=0.53870000 Z=0.47350000
          MULT= 4          ISPLIT= 8
      -6: X=0.71960000 Y=0.46130000 Z=0.97350000
      -6: X=0.71960000 Y=0.53870000 Z=0.47350000
      -6: X=0.28040000 Y=0.46130000 Z=0.97350000
O          NPT=  781  R0=.000100000 RMT= 1.68        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=0.22060000 Y=0.03800000 Z=0.54590000
          MULT= 4          ISPLIT= 8
      -7: X=0.77940000 Y=0.96200000 Z=0.04590000
      -7: X=0.77940000 Y=0.03800000 Z=0.54590000
      -7: X=0.22060000 Y=0.96200000 Z=0.04590000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000