P   LATTICE,NONEQUIV.ATOMS   8   19 P212121 
MODE OF CALC=RELA unit=bohr
 10.716637 19.309222 19.655042 90.000000 90.000000 90.000000
ATOM  -1: X=0.36514000 Y=0.48894000 Z=0.33116000
          MULT= 4          ISPLIT=15
      -1: X=0.13486000 Y=0.51106000 Z=0.83116000
      -1: X=0.86514000 Y=0.01106000 Z=0.66884000
      -1: X=0.63486000 Y=0.98894000 Z=0.16884000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18040000 Y=0.24620000 Z=0.70540000
          MULT= 4          ISPLIT=15
      -2: X=0.31960000 Y=0.75380000 Z=0.20540000
      -2: X=0.68040000 Y=0.25380000 Z=0.29460000
      -2: X=0.81960000 Y=0.74620000 Z=0.79460000
P          NPT=  781  R0=.000100000 RMT=   2.00000   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  -3: X=0.04840000 Y=0.26900000 Z=0.21290000
          MULT= 4          ISPLIT=15
      -3: X=0.45160000 Y=0.73100000 Z=0.71290000
      -3: X=0.54840000 Y=0.23100000 Z=0.78710000
      -3: X=0.95160000 Y=0.76900000 Z=0.28710000
P          NPT=  781  R0=.000100000 RMT=   2.00000   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  -4: X=0.27520000 Y=0.25890000 Z=0.50200000
          MULT= 4          ISPLIT=15
      -4: X=0.22480000 Y=0.74110000 Z=0.00200000
      -4: X=0.77520000 Y=0.24110000 Z=0.49800000
      -4: X=0.72480000 Y=0.75890000 Z=0.99800000
P          NPT=  781  R0=.000100000 RMT=   2.00000   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  -5: X=0.13660000 Y=0.05900000 Z=0.23930000
          MULT= 4          ISPLIT=15
      -5: X=0.36340000 Y=0.94100000 Z=0.73930000
      -5: X=0.63660000 Y=0.44100000 Z=0.76070000
      -5: X=0.86340000 Y=0.55900000 Z=0.26070000
P          NPT=  781  R0=.000100000 RMT=   2.00000   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  -6: X=0.20790000 Y=0.05040000 Z=0.44870000
          MULT= 4          ISPLIT=15
      -6: X=0.29210000 Y=0.94960000 Z=0.94870000
      -6: X=0.70790000 Y=0.44960000 Z=0.55130000
      -6: X=0.79210000 Y=0.55040000 Z=0.05130000
P          NPT=  781  R0=.000100000 RMT=   2.00000   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  -7: X=0.44470000 Y=0.44820000 Z=0.05160000
          MULT= 4          ISPLIT=15
      -7: X=0.05530000 Y=0.55180000 Z=0.55160000
      -7: X=0.94470000 Y=0.05180000 Z=0.94840000
      -7: X=0.55530000 Y=0.94820000 Z=0.44840000
P          NPT=  781  R0=.000100000 RMT=   2.00000   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  -8: X=0.51160000 Y=0.24020000 Z=0.00220000
          MULT= 4          ISPLIT=15
      -8: X=0.98840000 Y=0.75980000 Z=0.50220000
      -8: X=0.01160000 Y=0.25980000 Z=0.99780000
      -8: X=0.48840000 Y=0.74020000 Z=0.49780000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000