P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.422055 19.180720 12.903050 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.17400000 Y=0.06400000 Z=0.16300000
          MULT= 8          ISPLIT= 8
      -1: X=0.82600000 Y=0.93600000 Z=0.83700000
      -1: X=0.67400000 Y=0.06400000 Z=0.33700000
      -1: X=0.32600000 Y=0.93600000 Z=0.66300000
      -1: X=0.32600000 Y=0.56400000 Z=0.66300000
      -1: X=0.67400000 Y=0.43600000 Z=0.33700000
      -1: X=0.82600000 Y=0.56400000 Z=0.83700000
      -1: X=0.17400000 Y=0.43600000 Z=0.16300000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03800000 Y=0.25000000 Z=0.64300000
          MULT= 4          ISPLIT= 8
      -2: X=0.96200000 Y=0.75000000 Z=0.35700000
      -2: X=0.53800000 Y=0.25000000 Z=0.85700000
      -2: X=0.46200000 Y=0.75000000 Z=0.14300000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.37900000 Y=0.25000000 Z=0.44800000
          MULT= 4          ISPLIT= 8
      -3: X=0.62100000 Y=0.75000000 Z=0.55200000
      -3: X=0.87900000 Y=0.25000000 Z=0.05200000
      -3: X=0.12100000 Y=0.75000000 Z=0.94800000
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