P   LATTICE,NONEQUIV.ATOMS   5   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.436288  9.042340  9.110370 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.17200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.82800000 Z=0.75000000
Hg         NPT=  781  R0=.000005000 RMT= 2.16        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.67400000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.32600000 Z=0.25000000
S          NPT=  781  R0=.000100000 RMT= 1.36        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.36300000 Z=0.68200000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.63700000 Z=0.18200000
O          NPT=  781  R0=.000100000 RMT= 1.43        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.70000000 Z=0.06200000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.30000000 Z=0.56200000
O          NPT=  781  R0=.000100000 RMT= 1.43        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.31000000 Y=0.18800000 Z=0.15500000
          MULT= 4          ISPLIT= 8
      -5: X=0.19000000 Y=0.81200000 Z=0.65500000
      -5: X=0.69000000 Y=0.18800000 Z=0.15500000
      -5: X=0.81000000 Y=0.81200000 Z=0.65500000
O          NPT=  781  R0=.000100000 RMT= 1.43        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000