P   LATTICE,NONEQUIV.ATOMS   9   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.892262 14.550891 10.962301 90.000000 90.000000106.850000                   
ATOM  -1: X=0.91290000 Y=0.66830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.08710000 Y=0.33170000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.42        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.42500000 Y=0.69530000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.57500000 Y=0.30470000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.42        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.76460000 Y=0.17260000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.23540000 Y=0.82740000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 1.96        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.32680000 Y=0.18160000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.67320000 Y=0.81840000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 1.96        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.02990000 Y=0.11750000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.97010000 Y=0.88250000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.20        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=0.33920000 Y=0.36980000 Z=0.00720000
          MULT= 4          ISPLIT= 8
      -6: X=0.66080000 Y=0.63020000 Z=0.99280000
      -6: X=0.66080000 Y=0.63020000 Z=0.50720000
      -6: X=0.33920000 Y=0.36980000 Z=0.49280000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.32740000 Y=0.00520000 Z=0.50020000
          MULT= 4          ISPLIT= 8
      -7: X=0.67260000 Y=0.99480000 Z=0.49980000
      -7: X=0.67260000 Y=0.99480000 Z=0.00020000
      -7: X=0.32740000 Y=0.00520000 Z=0.99980000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.15520000 Y=0.63970000 Z=0.50280000
          MULT= 4          ISPLIT= 8
      -8: X=0.84480000 Y=0.36030000 Z=0.49720000
      -8: X=0.84480000 Y=0.36030000 Z=0.00280000
      -8: X=0.15520000 Y=0.63970000 Z=0.99720000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.56540000 Y=0.25270000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.43460000 Y=0.74730000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000