P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.294535 20.616912  7.271666 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16445000 Y=0.53615000 Z=0.00102000
          MULT= 8          ISPLIT= 8
      -1: X=0.83555000 Y=0.46385000 Z=0.99898000
      -1: X=0.66445000 Y=0.53615000 Z=0.49898000
      -1: X=0.33555000 Y=0.46385000 Z=0.50102000
      -1: X=0.33555000 Y=0.03615000 Z=0.50102000
      -1: X=0.66445000 Y=0.96385000 Z=0.49898000
      -1: X=0.83555000 Y=0.03615000 Z=0.99898000
      -1: X=0.16445000 Y=0.96385000 Z=0.00102000
Nb         NPT=  781  R0=.000010000 RMT= 1.77        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03083000 Y=0.25000000 Z=0.05066000
          MULT= 4          ISPLIT= 8
      -2: X=0.96917000 Y=0.75000000 Z=0.94934000
      -2: X=0.53083000 Y=0.25000000 Z=0.44934000
      -2: X=0.46917000 Y=0.75000000 Z=0.55066000
Nb         NPT=  781  R0=.000010000 RMT= 1.77        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.30000000 Y=0.03080000 Z=0.00210000
          MULT= 8          ISPLIT= 8
      -3: X=0.70000000 Y=0.96920000 Z=0.99790000
      -3: X=0.80000000 Y=0.03080000 Z=0.49790000
      -3: X=0.20000000 Y=0.96920000 Z=0.50210000
      -3: X=0.20000000 Y=0.53080000 Z=0.50210000
      -3: X=0.80000000 Y=0.46920000 Z=0.49790000
      -3: X=0.70000000 Y=0.53080000 Z=0.99790000
      -3: X=0.30000000 Y=0.46920000 Z=0.00210000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.43300000 Y=0.12530000 Z=0.49440000
          MULT= 8          ISPLIT= 8
      -4: X=0.56700000 Y=0.87470000 Z=0.50560000
      -4: X=0.93300000 Y=0.12530000 Z=0.00560000
      -4: X=0.06700000 Y=0.87470000 Z=0.99440000
      -4: X=0.06700000 Y=0.62530000 Z=0.99440000
      -4: X=0.93300000 Y=0.37470000 Z=0.00560000
      -4: X=0.56700000 Y=0.62530000 Z=0.50560000
      -4: X=0.43300000 Y=0.37470000 Z=0.49440000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.02580000 Y=0.25000000 Z=0.51830000
          MULT= 4          ISPLIT= 8
      -5: X=0.97420000 Y=0.75000000 Z=0.48170000
      -5: X=0.52580000 Y=0.25000000 Z=0.98170000
      -5: X=0.47420000 Y=0.75000000 Z=0.01830000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.11470000 Y=0.11630000 Z=0.00550000
          MULT= 8          ISPLIT= 8
      -6: X=0.88530000 Y=0.88370000 Z=0.99450000
      -6: X=0.61470000 Y=0.11630000 Z=0.49450000
      -6: X=0.38530000 Y=0.88370000 Z=0.50550000
      -6: X=0.38530000 Y=0.61630000 Z=0.50550000
      -6: X=0.61470000 Y=0.38370000 Z=0.49450000
      -6: X=0.88530000 Y=0.61630000 Z=0.99450000
      -6: X=0.11470000 Y=0.38370000 Z=0.00550000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -7: X=0.25766000 Y=0.25000000 Z=0.50690000
          MULT= 4          ISPLIT= 8
      -7: X=0.74234000 Y=0.75000000 Z=0.49310000
      -7: X=0.75766000 Y=0.25000000 Z=0.99310000
      -7: X=0.24234000 Y=0.75000000 Z=0.00690000
Cl         NPT=  781  R0=.000100000 RMT= 2.34        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000