P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.912714 16.739194 25.216506 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.19430000 Y=0.25000000 Z=0.09310000
          MULT= 4          ISPLIT= 8
      -1: X=0.80570000 Y=0.75000000 Z=0.90690000
      -1: X=0.69430000 Y=0.25000000 Z=0.40690000
      -1: X=0.30570000 Y=0.75000000 Z=0.59310000
Te         NPT=  781  R0=.000010000 RMT= 2.46        Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.50370000 Y=0.25000000 Z=0.54240000
          MULT= 4          ISPLIT= 8
      -2: X=0.49630000 Y=0.75000000 Z=0.45760000
      -2: X=0.00370000 Y=0.25000000 Z=0.95760000
      -2: X=0.99630000 Y=0.75000000 Z=0.04240000
Br         NPT=  781  R0=.000050000 RMT= 2.34        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.42900000 Y=0.25000000 Z=0.20770000
          MULT= 4          ISPLIT= 8
      -3: X=0.57100000 Y=0.75000000 Z=0.79230000
      -3: X=0.92900000 Y=0.25000000 Z=0.29230000
      -3: X=0.07100000 Y=0.75000000 Z=0.70770000
Br         NPT=  781  R0=.000050000 RMT= 2.34        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.32770000 Y=0.03760000 Z=0.02050000
          MULT= 8          ISPLIT= 8
      -4: X=0.67230000 Y=0.96240000 Z=0.97950000
      -4: X=0.82770000 Y=0.03760000 Z=0.47950000
      -4: X=0.17230000 Y=0.96240000 Z=0.52050000
      -4: X=0.17230000 Y=0.53760000 Z=0.52050000
      -4: X=0.82770000 Y=0.46240000 Z=0.47950000
      -4: X=0.67230000 Y=0.53760000 Z=0.97950000
      -4: X=0.32770000 Y=0.46240000 Z=0.02050000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.26430000 Y=0.03210000 Z=0.39250000
          MULT= 8          ISPLIT= 8
      -5: X=0.73570000 Y=0.96790000 Z=0.60750000
      -5: X=0.76430000 Y=0.03210000 Z=0.10750000
      -5: X=0.23570000 Y=0.96790000 Z=0.89250000
      -5: X=0.23570000 Y=0.53210000 Z=0.89250000
      -5: X=0.76430000 Y=0.46790000 Z=0.10750000
      -5: X=0.73570000 Y=0.53210000 Z=0.60750000
      -5: X=0.26430000 Y=0.46790000 Z=0.39250000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.15220000 Y=0.56570000 Z=0.27680000
          MULT= 8          ISPLIT= 8
      -6: X=0.84780000 Y=0.43430000 Z=0.72320000
      -6: X=0.65220000 Y=0.56570000 Z=0.22320000
      -6: X=0.34780000 Y=0.43430000 Z=0.77680000
      -6: X=0.34780000 Y=0.06570000 Z=0.77680000
      -6: X=0.65220000 Y=0.93430000 Z=0.22320000
      -6: X=0.84780000 Y=0.06570000 Z=0.72320000
      -6: X=0.15220000 Y=0.93430000 Z=0.27680000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.23660000 Y=0.25000000 Z=0.72630000
          MULT= 4          ISPLIT= 8
      -7: X=0.76340000 Y=0.75000000 Z=0.27370000
      -7: X=0.73660000 Y=0.25000000 Z=0.77370000
      -7: X=0.26340000 Y=0.75000000 Z=0.22630000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000