P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.589356 12.498838 11.036757 90.000000 90.000000 99.220000                   
ATOM  -1: X=0.17562000 Y=0.31163000 Z=0.55659000
          MULT= 4          ISPLIT= 8
      -1: X=0.82438000 Y=0.68837000 Z=0.44341000
      -1: X=0.32438000 Y=0.18837000 Z=0.05659000
      -1: X=0.67562000 Y=0.81163000 Z=0.94341000
Tl         NPT=  781  R0=.000005000 RMT= 1.93        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=0.06400000 Y=0.25800000 Z=0.06900000
          MULT= 4          ISPLIT= 8
      -2: X=0.93600000 Y=0.74200000 Z=0.93100000
      -2: X=0.43600000 Y=0.24200000 Z=0.56900000
      -2: X=0.56400000 Y=0.75800000 Z=0.43100000
O          NPT=  781  R0=.000100000 RMT= 1.24        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36000000 Y=0.01280000 Z=0.75760000
          MULT= 4          ISPLIT= 8
      -3: X=0.64000000 Y=0.98720000 Z=0.24240000
      -3: X=0.14000000 Y=0.48720000 Z=0.25760000
      -3: X=0.86000000 Y=0.51280000 Z=0.74240000
O          NPT=  781  R0=.000100000 RMT= 1.24        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.05400000 Y=0.06700000 Z=0.09200000
          MULT= 4          ISPLIT= 8
      -4: X=0.94600000 Y=0.93300000 Z=0.90800000
      -4: X=0.44600000 Y=0.43300000 Z=0.59200000
      -4: X=0.55400000 Y=0.56700000 Z=0.40800000
C          NPT=  781  R0=.000100000 RMT= 1.13        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000