P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.001498 10.857799 16.571386 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10077000 Y=0.25000000 Z=0.81055000
          MULT= 4          ISPLIT= 8
      -1: X=0.89923000 Y=0.75000000 Z=0.18945000
      -1: X=0.60077000 Y=0.25000000 Z=0.68945000
      -1: X=0.39923000 Y=0.75000000 Z=0.31055000
Y          NPT=  781  R0=.000010000 RMT= 2.18        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.87301000 Y=0.25000000 Z=0.50819000
          MULT= 4          ISPLIT= 8
      -2: X=0.12699000 Y=0.75000000 Z=0.49181000
      -2: X=0.37301000 Y=0.25000000 Z=0.99181000
      -2: X=0.62699000 Y=0.75000000 Z=0.00819000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.29736000 Y=0.25000000 Z=0.51778000
          MULT= 4          ISPLIT= 8
      -3: X=0.70264000 Y=0.75000000 Z=0.48222000
      -3: X=0.79736000 Y=0.25000000 Z=0.98222000
      -3: X=0.20264000 Y=0.75000000 Z=0.01778000
Se         NPT=  781  R0=.000050000 RMT= 1.65        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.06250000 Y=0.25000000 Z=0.21571000
          MULT= 4          ISPLIT= 8
      -4: X=0.93750000 Y=0.75000000 Z=0.78429000
      -4: X=0.56250000 Y=0.25000000 Z=0.28429000
      -4: X=0.43750000 Y=0.75000000 Z=0.71571000
Se         NPT=  781  R0=.000050000 RMT= 1.65        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.29540000 Y=0.02200000 Z=0.39730000
          MULT= 8          ISPLIT= 8
      -5: X=0.70460000 Y=0.97800000 Z=0.60270000
      -5: X=0.79540000 Y=0.02200000 Z=0.10270000
      -5: X=0.20460000 Y=0.97800000 Z=0.89730000
      -5: X=0.20460000 Y=0.52200000 Z=0.89730000
      -5: X=0.79540000 Y=0.47800000 Z=0.10270000
      -5: X=0.70460000 Y=0.52200000 Z=0.60270000
      -5: X=0.29540000 Y=0.47800000 Z=0.39730000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.18120000 Y=0.25000000 Z=0.58440000
          MULT= 4          ISPLIT= 8
      -6: X=0.81880000 Y=0.75000000 Z=0.41560000
      -6: X=0.68120000 Y=0.25000000 Z=0.91560000
      -6: X=0.31880000 Y=0.75000000 Z=0.08440000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.00030000 Y=0.02140000 Z=0.28780000
          MULT= 8          ISPLIT= 8
      -7: X=0.99970000 Y=0.97860000 Z=0.71220000
      -7: X=0.50030000 Y=0.02140000 Z=0.21220000
      -7: X=0.49970000 Y=0.97860000 Z=0.78780000
      -7: X=0.49970000 Y=0.52140000 Z=0.78780000
      -7: X=0.50030000 Y=0.47860000 Z=0.21220000
      -7: X=0.99970000 Y=0.52140000 Z=0.71220000
      -7: X=0.00030000 Y=0.47860000 Z=0.28780000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.02550000 Y=0.25000000 Z=0.03350000
          MULT= 4          ISPLIT= 8
      -8: X=0.97450000 Y=0.75000000 Z=0.96650000
      -8: X=0.52550000 Y=0.25000000 Z=0.46650000
      -8: X=0.47450000 Y=0.75000000 Z=0.53350000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000