P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.252281 16.285093  9.490961 90.000000 90.000000121.107000                   
ATOM  -1: X=0.40815000 Y=0.56843000 Z=0.23722000
          MULT= 4          ISPLIT= 8
      -1: X=0.59185000 Y=0.43157000 Z=0.76278000
      -1: X=0.09185000 Y=0.93157000 Z=0.73722000
      -1: X=0.90815000 Y=0.06843000 Z=0.26278000
Hg         NPT=  781  R0=.000005000 RMT= 2.06        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15734000 Y=0.77089000 Z=0.20772000
          MULT= 4          ISPLIT= 8
      -2: X=0.84266000 Y=0.22911000 Z=0.79228000
      -2: X=0.34266000 Y=0.72911000 Z=0.70772000
      -2: X=0.65734000 Y=0.27089000 Z=0.29228000
Hg         NPT=  781  R0=.000005000 RMT= 2.06        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12460000 Y=0.15843000 Z=0.24486000
          MULT= 4          ISPLIT= 8
      -3: X=0.87540000 Y=0.84157000 Z=0.75514000
      -3: X=0.37540000 Y=0.34157000 Z=0.74486000
      -3: X=0.62460000 Y=0.65843000 Z=0.25514000
Se         NPT=  781  R0=.000050000 RMT= 1.65        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23730000 Y=0.10560000 Z=0.15240000
          MULT= 4          ISPLIT= 8
      -4: X=0.76270000 Y=0.89440000 Z=0.84760000
      -4: X=0.26270000 Y=0.39440000 Z=0.65240000
      -4: X=0.73730000 Y=0.60560000 Z=0.34760000
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  -5: X=0.14450000 Y=0.17220000 Z=0.58110000
          MULT= 4          ISPLIT= 8
      -5: X=0.85550000 Y=0.82780000 Z=0.41890000
      -5: X=0.35550000 Y=0.32780000 Z=0.08110000
      -5: X=0.64450000 Y=0.67220000 Z=0.91890000
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=0.20140000 Y=0.38250000 Z=0.15550000
          MULT= 4          ISPLIT= 8
      -6: X=0.79860000 Y=0.61750000 Z=0.84450000
      -6: X=0.29860000 Y=0.11750000 Z=0.65550000
      -6: X=0.70140000 Y=0.88250000 Z=0.34450000
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