P   LATTICE,NONEQUIV.ATOMS   7    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.604500 14.477192 15.063007 90.000000 90.000000107.950000                   
ATOM  -1: X=0.05437000 Y=0.22690000 Z=0.51250000
          MULT= 2          ISPLIT= 8
      -1: X=0.94563000 Y=0.77310000 Z=0.01250000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.56683000 Y=0.25638000 Z=0.52333000
          MULT= 2          ISPLIT= 8
      -2: X=0.43317000 Y=0.74362000 Z=0.02333000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.74380000 Y=0.01820000 Z=0.24640000
          MULT= 2          ISPLIT= 8
      -3: X=0.25620000 Y=0.98180000 Z=0.74640000
I          NPT=  781  R0=.000010000 RMT= 2.41        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.38010000 Y=0.58370000 Z=0.45230000
          MULT= 2          ISPLIT= 8
      -4: X=0.61990000 Y=0.41630000 Z=0.95230000
I          NPT=  781  R0=.000010000 RMT= 2.41        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08320000 Y=0.40470000 Z=0.94470000
          MULT= 2          ISPLIT= 8
      -5: X=0.91680000 Y=0.59530000 Z=0.44470000
I          NPT=  781  R0=.000010000 RMT= 2.41        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.27250000 Y=0.03500000 Z=0.23560000
          MULT= 2          ISPLIT= 8
      -6: X=0.72750000 Y=0.96500000 Z=0.73560000
I          NPT=  781  R0=.000010000 RMT= 2.41        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.20240000 Y=0.78130000 Z=0.47250000
          MULT= 2          ISPLIT= 8
      -7: X=0.79760000 Y=0.21870000 Z=0.97250000
Zn         NPT=  781  R0=.000050000 RMT= 2.41        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000