P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.689511 13.131707 33.569095 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09820000 Y=0.08090000 Z=0.01610000
          MULT= 4          ISPLIT= 8
      -1: X=0.40180000 Y=0.91910000 Z=0.51610000
      -1: X=0.59820000 Y=0.41910000 Z=0.98390000
      -1: X=0.90180000 Y=0.58090000 Z=0.48390000
Se         NPT=  781  R0=.000050000 RMT= 2.19        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  -2: X=0.08170000 Y=0.64580000 Z=0.37430000
          MULT= 4          ISPLIT= 8
      -2: X=0.41830000 Y=0.35420000 Z=0.87430000
      -2: X=0.58170000 Y=0.85420000 Z=0.62570000
      -2: X=0.91830000 Y=0.14580000 Z=0.12570000
Se         NPT=  781  R0=.000050000 RMT= 2.19        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  -3: X=0.03550000 Y=0.37870000 Z=0.29460000
          MULT= 4          ISPLIT= 8
      -3: X=0.46450000 Y=0.62130000 Z=0.79460000
      -3: X=0.53550000 Y=0.12130000 Z=0.70540000
      -3: X=0.96450000 Y=0.87870000 Z=0.20540000
Se         NPT=  781  R0=.000050000 RMT= 2.19        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=0.23810000 Y=0.13920000 Z=0.35020000
          MULT= 4          ISPLIT= 8
      -4: X=0.26190000 Y=0.86080000 Z=0.85020000
      -4: X=0.73810000 Y=0.36080000 Z=0.64980000
      -4: X=0.76190000 Y=0.63920000 Z=0.14980000
Se         NPT=  781  R0=.000050000 RMT= 2.19        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=0.56900000 Y=0.24560000 Z=0.33730000
          MULT= 4          ISPLIT= 8
      -5: X=0.93100000 Y=0.75440000 Z=0.83730000
      -5: X=0.06900000 Y=0.25440000 Z=0.66270000
      -5: X=0.43100000 Y=0.74560000 Z=0.16270000
Se         NPT=  781  R0=.000050000 RMT= 2.19        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=0.41170000 Y=0.24180000 Z=0.16140000
          MULT= 4          ISPLIT= 8
      -6: X=0.08830000 Y=0.75820000 Z=0.66140000
      -6: X=0.91170000 Y=0.25820000 Z=0.83860000
      -6: X=0.58830000 Y=0.74180000 Z=0.33860000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.12280000 Y=0.58640000 Z=0.00790000
          MULT= 4          ISPLIT= 8
      -7: X=0.37720000 Y=0.41360000 Z=0.50790000
      -7: X=0.62280000 Y=0.91360000 Z=0.99210000
      -7: X=0.87720000 Y=0.08640000 Z=0.49210000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000