P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.631145 21.074226 26.461835 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.30300000 Y=0.25000000 Z=0.11300000
          MULT= 4          ISPLIT= 8
      -1: X=0.69700000 Y=0.75000000 Z=0.88700000
      -1: X=0.80300000 Y=0.25000000 Z=0.38700000
      -1: X=0.19700000 Y=0.75000000 Z=0.61300000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.41580000 Y=0.25000000 Z=0.54990000
          MULT= 4          ISPLIT= 8
      -2: X=0.58420000 Y=0.75000000 Z=0.45010000
      -2: X=0.91580000 Y=0.25000000 Z=0.95010000
      -2: X=0.08420000 Y=0.75000000 Z=0.04990000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.08270000 Y=0.52090000 Z=0.33050000
          MULT= 8          ISPLIT= 8
      -3: X=0.91730000 Y=0.47910000 Z=0.66950000
      -3: X=0.58270000 Y=0.52090000 Z=0.16950000
      -3: X=0.41730000 Y=0.47910000 Z=0.83050000
      -3: X=0.41730000 Y=0.02090000 Z=0.83050000
      -3: X=0.58270000 Y=0.97910000 Z=0.16950000
      -3: X=0.91730000 Y=0.02090000 Z=0.66950000
      -3: X=0.08270000 Y=0.97910000 Z=0.33050000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16840000 Y=0.25000000 Z=0.76000000
          MULT= 4          ISPLIT= 8
      -4: X=0.83160000 Y=0.75000000 Z=0.24000000
      -4: X=0.66840000 Y=0.25000000 Z=0.74000000
      -4: X=0.33160000 Y=0.75000000 Z=0.26000000
Br         NPT=  781  R0=.000050000 RMT= 2.28        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  -5: X=0.18490000 Y=0.05170000 Z=0.06610000
          MULT= 8          ISPLIT= 8
      -5: X=0.81510000 Y=0.94830000 Z=0.93390000
      -5: X=0.68490000 Y=0.05170000 Z=0.43390000
      -5: X=0.31510000 Y=0.94830000 Z=0.56610000
      -5: X=0.31510000 Y=0.55170000 Z=0.56610000
      -5: X=0.68490000 Y=0.44830000 Z=0.43390000
      -5: X=0.81510000 Y=0.55170000 Z=0.93390000
      -5: X=0.18490000 Y=0.44830000 Z=0.06610000
Br         NPT=  781  R0=.000050000 RMT= 2.28        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.04250000 Y=0.25000000 Z=0.48980000
          MULT= 4          ISPLIT= 8
      -6: X=0.95750000 Y=0.75000000 Z=0.51020000
      -6: X=0.54250000 Y=0.25000000 Z=0.01020000
      -6: X=0.45750000 Y=0.75000000 Z=0.98980000
Br         NPT=  781  R0=.000050000 RMT= 2.28        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  -7: X=0.37480000 Y=0.25000000 Z=0.28930000
          MULT= 4          ISPLIT= 8
      -7: X=0.62520000 Y=0.75000000 Z=0.71070000
      -7: X=0.87480000 Y=0.25000000 Z=0.21070000
      -7: X=0.12520000 Y=0.75000000 Z=0.78930000
Br         NPT=  781  R0=.000050000 RMT= 2.28        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000