P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.734496  7.045655 25.453666 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.23980000 Y=0.25000000 Z=0.66580000
          MULT= 4          ISPLIT= 8
      -1: X=0.76020000 Y=0.75000000 Z=0.33420000
      -1: X=0.73980000 Y=0.25000000 Z=0.83420000
      -1: X=0.26020000 Y=0.75000000 Z=0.16580000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.08510000 Y=0.25000000 Z=0.40280000
          MULT= 4          ISPLIT= 8
      -2: X=0.91490000 Y=0.75000000 Z=0.59720000
      -2: X=0.58510000 Y=0.25000000 Z=0.09720000
      -2: X=0.41490000 Y=0.75000000 Z=0.90280000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.55870000 Y=0.25000000 Z=0.61100000
          MULT= 4          ISPLIT= 8
      -3: X=0.44130000 Y=0.75000000 Z=0.38900000
      -3: X=0.05870000 Y=0.25000000 Z=0.88900000
      -3: X=0.94130000 Y=0.75000000 Z=0.11100000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.29790000 Y=0.25000000 Z=0.33430000
          MULT= 4          ISPLIT= 8
      -4: X=0.70210000 Y=0.75000000 Z=0.66570000
      -4: X=0.79790000 Y=0.25000000 Z=0.16570000
      -4: X=0.20210000 Y=0.75000000 Z=0.83430000
S          NPT=  781  R0=.000100000 RMT= 2.18        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.37190000 Y=0.25000000 Z=0.03270000
          MULT= 4          ISPLIT= 8
      -5: X=0.62810000 Y=0.75000000 Z=0.96730000
      -5: X=0.87190000 Y=0.25000000 Z=0.46730000
      -5: X=0.12810000 Y=0.75000000 Z=0.53270000
S          NPT=  781  R0=.000100000 RMT= 2.18        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.46920000 Y=0.25000000 Z=0.78640000
          MULT= 4          ISPLIT= 8
      -6: X=0.53080000 Y=0.75000000 Z=0.21360000
      -6: X=0.96920000 Y=0.25000000 Z=0.71360000
      -6: X=0.03080000 Y=0.75000000 Z=0.28640000
S          NPT=  781  R0=.000100000 RMT= 2.18        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.09350000 Y=0.25000000 Z=0.07370000
          MULT= 4          ISPLIT= 8
      -7: X=0.90650000 Y=0.75000000 Z=0.92630000
      -7: X=0.59350000 Y=0.25000000 Z=0.42630000
      -7: X=0.40650000 Y=0.75000000 Z=0.57370000
S          NPT=  781  R0=.000100000 RMT= 2.18        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000