P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 13.426504 14.021768 35.676140 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12020000 Y=0.58070000 Z=0.01400000
          MULT= 4          ISPLIT= 8
      -1: X=0.37980000 Y=0.41930000 Z=0.51400000
      -1: X=0.62020000 Y=0.91930000 Z=0.98600000
      -1: X=0.87980000 Y=0.08070000 Z=0.48600000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.42170000 Y=0.25070000 Z=0.16100000
          MULT= 4          ISPLIT= 8
      -2: X=0.07830000 Y=0.74930000 Z=0.66100000
      -2: X=0.92170000 Y=0.24930000 Z=0.83900000
      -2: X=0.57830000 Y=0.75070000 Z=0.33900000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.10100000 Y=0.07700000 Z=0.02170000
          MULT= 4          ISPLIT= 8
      -3: X=0.39900000 Y=0.92300000 Z=0.52170000
      -3: X=0.60100000 Y=0.42300000 Z=0.97830000
      -3: X=0.89900000 Y=0.57700000 Z=0.47830000
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.07500000 Y=0.63320000 Z=0.37630000
          MULT= 4          ISPLIT= 8
      -4: X=0.42500000 Y=0.36680000 Z=0.87630000
      -4: X=0.57500000 Y=0.86680000 Z=0.62370000
      -4: X=0.92500000 Y=0.13320000 Z=0.12370000
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.04200000 Y=0.37700000 Z=0.30130000
          MULT= 4          ISPLIT= 8
      -5: X=0.45800000 Y=0.62300000 Z=0.80130000
      -5: X=0.54200000 Y=0.12300000 Z=0.69870000
      -5: X=0.95800000 Y=0.87700000 Z=0.19870000
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.24500000 Y=0.16200000 Z=0.34970000
          MULT= 4          ISPLIT= 8
      -6: X=0.25500000 Y=0.83800000 Z=0.84970000
      -6: X=0.74500000 Y=0.33800000 Z=0.65030000
      -6: X=0.75500000 Y=0.66200000 Z=0.15030000
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.55100000 Y=0.25500000 Z=0.34240000
          MULT= 4          ISPLIT= 8
      -7: X=0.94900000 Y=0.74500000 Z=0.84240000
      -7: X=0.05100000 Y=0.24500000 Z=0.65760000
      -7: X=0.44900000 Y=0.75500000 Z=0.15760000
Se         NPT=  781  R0=.000050000 RMT= 2.15        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000