P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.287884 12.581797 18.647817 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24666000 Y=0.09720000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75334000 Y=0.90280000 Z=0.00000000
      -1: X=0.25334000 Y=0.59720000 Z=0.00000000
      -1: X=0.74666000 Y=0.40280000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.27        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16072000 Y=0.29093000 Z=0.32675000
          MULT= 4          ISPLIT= 8
      -2: X=0.83928000 Y=0.70907000 Z=0.82675000
      -2: X=0.33928000 Y=0.79093000 Z=0.82675000
      -2: X=0.66072000 Y=0.20907000 Z=0.32675000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.45549000 Y=0.36014000 Z=0.00981000
          MULT= 4          ISPLIT= 8
      -3: X=0.54451000 Y=0.63986000 Z=0.50981000
      -3: X=0.04451000 Y=0.86014000 Z=0.50981000
      -3: X=0.95549000 Y=0.13986000 Z=0.00981000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18468000 Y=0.28033000 Z=0.68607000
          MULT= 4          ISPLIT= 8
      -4: X=0.81532000 Y=0.71967000 Z=0.18607000
      -4: X=0.31532000 Y=0.78033000 Z=0.18607000
      -4: X=0.68468000 Y=0.21967000 Z=0.68607000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.43430000 Y=0.45050000 Z=0.28160000
          MULT= 4          ISPLIT= 8
      -5: X=0.56570000 Y=0.54950000 Z=0.78160000
      -5: X=0.06570000 Y=0.95050000 Z=0.78160000
      -5: X=0.93430000 Y=0.04950000 Z=0.28160000
Li         NPT=  781  R0=.000100000 RMT= 2.10        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.07840000 Y=0.64620000 Z=0.31110000
          MULT= 4          ISPLIT= 8
      -6: X=0.92160000 Y=0.35380000 Z=0.81110000
      -6: X=0.42160000 Y=0.14620000 Z=0.81110000
      -6: X=0.57840000 Y=0.85380000 Z=0.31110000
Li         NPT=  781  R0=.000100000 RMT= 2.10        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.24870000 Y=0.11550000 Z=0.11100000
          MULT= 4          ISPLIT= 8
      -7: X=0.75130000 Y=0.88450000 Z=0.61100000
      -7: X=0.25130000 Y=0.61550000 Z=0.61100000
      -7: X=0.74870000 Y=0.38450000 Z=0.11100000
Li         NPT=  781  R0=.000100000 RMT= 2.10        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000