P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 14.360785 18.539347 25.350676 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49970000 Y=0.03480000 Z=0.42380000
          MULT= 4          ISPLIT= 8
      -1: X=0.00030000 Y=0.96520000 Z=0.92380000
      -1: X=0.99970000 Y=0.46520000 Z=0.57620000
      -1: X=0.50030000 Y=0.53480000 Z=0.07620000
Hg         NPT=  781  R0=.000005000 RMT= 2.49        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=0.00300000 Y=0.23560000 Z=0.32020000
          MULT= 4          ISPLIT= 8
      -2: X=0.49700000 Y=0.76440000 Z=0.82020000
      -2: X=0.50300000 Y=0.26440000 Z=0.67980000
      -2: X=0.99700000 Y=0.73560000 Z=0.17980000
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  -3: X=0.50300000 Y=0.12780000 Z=0.09380000
          MULT= 4          ISPLIT= 8
      -3: X=0.99700000 Y=0.87220000 Z=0.59380000
      -3: X=0.00300000 Y=0.37220000 Z=0.90620000
      -3: X=0.49700000 Y=0.62780000 Z=0.40620000
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=0.01400000 Y=0.07220000 Z=0.08970000
          MULT= 4          ISPLIT= 8
      -4: X=0.48600000 Y=0.92780000 Z=0.58970000
      -4: X=0.51400000 Y=0.42780000 Z=0.91030000
      -4: X=0.98600000 Y=0.57220000 Z=0.41030000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.03800000 Y=0.22040000 Z=0.58280000
          MULT= 4          ISPLIT= 8
      -5: X=0.46200000 Y=0.77960000 Z=0.08280000
      -5: X=0.53800000 Y=0.27960000 Z=0.41720000
      -5: X=0.96200000 Y=0.72040000 Z=0.91720000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.23500000 Y=0.43100000 Z=0.15400000
          MULT= 4          ISPLIT= 8
      -6: X=0.26500000 Y=0.56900000 Z=0.65400000
      -6: X=0.73500000 Y=0.06900000 Z=0.84600000
      -6: X=0.76500000 Y=0.93100000 Z=0.34600000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.24200000 Y=0.06400000 Z=0.83200000
          MULT= 4          ISPLIT= 8
      -7: X=0.25800000 Y=0.93600000 Z=0.33200000
      -7: X=0.74200000 Y=0.43600000 Z=0.16800000
      -7: X=0.75800000 Y=0.56400000 Z=0.66800000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000