P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.569238 14.202804 24.335326 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.21900000 Y=0.25000000 Z=0.39360000
          MULT= 4          ISPLIT= 8
      -1: X=0.78100000 Y=0.75000000 Z=0.60640000
      -1: X=0.71900000 Y=0.25000000 Z=0.10640000
      -1: X=0.28100000 Y=0.75000000 Z=0.89360000
Na         NPT=  781  R0=.000100000 RMT= 2.07        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.27000000 Y=0.04130000 Z=0.18030000
          MULT= 8          ISPLIT= 8
      -2: X=0.73000000 Y=0.95870000 Z=0.81970000
      -2: X=0.77000000 Y=0.04130000 Z=0.31970000
      -2: X=0.23000000 Y=0.95870000 Z=0.68030000
      -2: X=0.23000000 Y=0.54130000 Z=0.68030000
      -2: X=0.77000000 Y=0.45870000 Z=0.31970000
      -2: X=0.73000000 Y=0.54130000 Z=0.81970000
      -2: X=0.27000000 Y=0.45870000 Z=0.18030000
Na         NPT=  781  R0=.000100000 RMT= 2.07        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00640000 Y=0.25000000 Z=0.23260000
          MULT= 4          ISPLIT= 8
      -3: X=0.99360000 Y=0.75000000 Z=0.76740000
      -3: X=0.50640000 Y=0.25000000 Z=0.26740000
      -3: X=0.49360000 Y=0.75000000 Z=0.73260000
F          NPT=  781  R0=.000100000 RMT= 2.17        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.71070000 Y=0.25000000 Z=0.58550000
          MULT= 4          ISPLIT= 8
      -4: X=0.28930000 Y=0.75000000 Z=0.41450000
      -4: X=0.21070000 Y=0.25000000 Z=0.91450000
      -4: X=0.78930000 Y=0.75000000 Z=0.08550000
Mo         NPT=  781  R0=.000010000 RMT= 1.72        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.39270000 Y=0.25000000 Z=0.57810000
          MULT= 4          ISPLIT= 8
      -5: X=0.60730000 Y=0.75000000 Z=0.42190000
      -5: X=0.89270000 Y=0.25000000 Z=0.92190000
      -5: X=0.10730000 Y=0.75000000 Z=0.07810000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.32300000 Y=0.25000000 Z=0.04470000
          MULT= 4          ISPLIT= 8
      -6: X=0.67700000 Y=0.75000000 Z=0.95530000
      -6: X=0.82300000 Y=0.25000000 Z=0.45530000
      -6: X=0.17700000 Y=0.75000000 Z=0.54470000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.18950000 Y=0.56040000 Z=0.34960000
          MULT= 8          ISPLIT= 8
      -7: X=0.81050000 Y=0.43960000 Z=0.65040000
      -7: X=0.68950000 Y=0.56040000 Z=0.15040000
      -7: X=0.31050000 Y=0.43960000 Z=0.84960000
      -7: X=0.31050000 Y=0.06040000 Z=0.84960000
      -7: X=0.68950000 Y=0.93960000 Z=0.15040000
      -7: X=0.81050000 Y=0.06040000 Z=0.65040000
      -7: X=0.18950000 Y=0.93960000 Z=0.34960000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000