P   LATTICE,NONEQUIV.ATOMS  10    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.309222 12.788155 14.256283 90.000000 90.000000 91.056000                   
ATOM  -1: X=0.00758000 Y=0.81665000 Z=0.27964000
          MULT= 2          ISPLIT= 8
      -1: X=0.99242000 Y=0.18335000 Z=0.77964000
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=0.49792000 Y=0.28504000 Z=0.00002000
          MULT= 2          ISPLIT= 8
      -2: X=0.50208000 Y=0.71496000 Z=0.50002000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.32787000 Y=0.42585000 Z=0.69225000
          MULT= 2          ISPLIT= 8
      -3: X=0.67213000 Y=0.57415000 Z=0.19225000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.32559000 Y=0.57170000 Z=0.19018000
          MULT= 2          ISPLIT= 8
      -4: X=0.67441000 Y=0.42830000 Z=0.69018000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.51603000 Y=0.13078000 Z=0.36808000
          MULT= 2          ISPLIT= 8
      -5: X=0.48397000 Y=0.86922000 Z=0.86808000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.23181000 Y=0.09656000 Z=0.06080000
          MULT= 2          ISPLIT= 8
      -6: X=0.76819000 Y=0.90344000 Z=0.56080000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.75889000 Y=0.09275000 Z=0.08696000
          MULT= 2          ISPLIT= 8
      -7: X=0.24111000 Y=0.90725000 Z=0.58696000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00733000 Y=0.34747000 Z=0.36466000
          MULT= 2          ISPLIT= 8
      -8: X=0.99267000 Y=0.65253000 Z=0.86466000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.32259000 Y=0.18680000 Z=0.49180000
          MULT= 2          ISPLIT= 8
      -9: X=0.67741000 Y=0.81320000 Z=0.99180000
P          NPT=  781  R0=.000100000 RMT= 1.80        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.20267000 Y=0.31090000 Z=0.27150000
          MULT= 2          ISPLIT= 8
     -10: X=0.79733000 Y=0.68910000 Z=0.77150000
P          NPT=  781  R0=.000100000 RMT= 1.80        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000