P   LATTICE,NONEQUIV.ATOMS   7   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.000861  8.256969  7.924567 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.19975000 Z=0.10320000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.80025000 Z=0.60320000
Ca         NPT=  781  R0=.000050000 RMT= 2.27        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.27479000 Y=0.13750000 Z=0.25470000
          MULT= 4          ISPLIT= 8
      -2: X=0.22521000 Y=0.86250000 Z=0.75470000
      -2: X=0.72521000 Y=0.13750000 Z=0.25470000
      -2: X=0.77479000 Y=0.86250000 Z=0.75470000
O          NPT=  781  R0=.000100000 RMT= 1.43        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  -3: X=0.36342000 Y=0.64880000 Z=0.16770000
          MULT= 4          ISPLIT= 8
      -3: X=0.13658000 Y=0.35120000 Z=0.66770000
      -3: X=0.63658000 Y=0.64880000 Z=0.16770000
      -3: X=0.86342000 Y=0.35120000 Z=0.66770000
O          NPT=  781  R0=.000100000 RMT= 1.43        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  -4: X=0.13361000 Y=0.72270000 Z=0.25030000
          MULT= 4          ISPLIT= 8
      -4: X=0.36639000 Y=0.27730000 Z=0.75030000
      -4: X=0.86639000 Y=0.72270000 Z=0.25030000
      -4: X=0.63361000 Y=0.27730000 Z=0.75030000
O          NPT=  781  R0=.000100000 RMT= 1.43        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=0.00000000 Y=0.78490000 Z=0.70180000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.21510000 Z=0.20180000
O          NPT=  781  R0=.000100000 RMT= 1.43        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=0.37940000 Y=0.32640000 Z=0.08930000
          MULT= 4          ISPLIT= 8
      -6: X=0.12060000 Y=0.67360000 Z=0.58930000
      -6: X=0.62060000 Y=0.32640000 Z=0.08930000
      -6: X=0.87940000 Y=0.67360000 Z=0.58930000
B          NPT=  781  R0=.000100000 RMT= 1.23        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.25040000 Y=0.17850000 Z=0.61440000
          MULT= 4          ISPLIT= 8
      -7: X=0.24960000 Y=0.82150000 Z=0.11440000
      -7: X=0.74960000 Y=0.17850000 Z=0.61440000
      -7: X=0.75040000 Y=0.82150000 Z=0.11440000
B          NPT=  781  R0=.000100000 RMT= 1.23        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000