P   LATTICE,NONEQUIV.ATOMS   9   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
  6.720622 12.003351 36.383653 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.70239000 Y=0.20104000 Z=0.21051000
          MULT= 4          ISPLIT= 8
      -1: X=0.79761000 Y=0.79896000 Z=0.71051000
      -1: X=0.20239000 Y=0.29896000 Z=0.78949000
      -1: X=0.29761000 Y=0.70104000 Z=0.28949000
Ca         NPT=  781  R0=.000050000 RMT= 2.17        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20262000 Y=0.44688000 Z=0.06152000
          MULT= 4          ISPLIT= 8
      -2: X=0.29738000 Y=0.55312000 Z=0.56152000
      -2: X=0.70262000 Y=0.05312000 Z=0.93848000
      -2: X=0.79738000 Y=0.94688000 Z=0.43848000
Ca         NPT=  781  R0=.000050000 RMT= 2.17        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.18630000 Y=0.21810000 Z=0.34330000
          MULT= 4          ISPLIT= 8
      -3: X=0.31370000 Y=0.78190000 Z=0.84330000
      -3: X=0.68630000 Y=0.28190000 Z=0.65670000
      -3: X=0.81370000 Y=0.71810000 Z=0.15670000
B          NPT=  781  R0=.000100000 RMT= 1.17        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14260000 Y=0.00330000 Z=0.08210000
          MULT= 4          ISPLIT= 8
      -4: X=0.35740000 Y=0.99670000 Z=0.58210000
      -4: X=0.64260000 Y=0.49670000 Z=0.91790000
      -4: X=0.85740000 Y=0.50330000 Z=0.41790000
B          NPT=  781  R0=.000100000 RMT= 1.17        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.20140000 Y=0.05583000 Z=0.01528000
          MULT= 4          ISPLIT= 8
      -5: X=0.29860000 Y=0.94417000 Z=0.51528000
      -5: X=0.70140000 Y=0.44417000 Z=0.98472000
      -5: X=0.79860000 Y=0.55583000 Z=0.48472000
O          NPT=  781  R0=.000100000 RMT= 1.36        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.20500000 Y=0.14306000 Z=0.13453000
          MULT= 4          ISPLIT= 8
      -6: X=0.29500000 Y=0.85694000 Z=0.63453000
      -6: X=0.70500000 Y=0.35694000 Z=0.86547000
      -6: X=0.79500000 Y=0.64306000 Z=0.36547000
O          NPT=  781  R0=.000100000 RMT= 1.36        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.31570000 Y=0.01855000 Z=0.35191000
          MULT= 4          ISPLIT= 8
      -7: X=0.18430000 Y=0.98145000 Z=0.85191000
      -7: X=0.81570000 Y=0.48145000 Z=0.64809000
      -7: X=0.68430000 Y=0.51855000 Z=0.14809000
O          NPT=  781  R0=.000100000 RMT= 1.36        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00370000 Y=0.30046000 Z=0.40367000
          MULT= 4          ISPLIT= 8
      -8: X=0.49630000 Y=0.69954000 Z=0.90367000
      -8: X=0.50370000 Y=0.19954000 Z=0.59633000
      -8: X=0.99630000 Y=0.80046000 Z=0.09633000
O          NPT=  781  R0=.000100000 RMT= 1.36        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.20790000 Y=0.32822000 Z=0.28243000
          MULT= 4          ISPLIT= 8
      -9: X=0.29210000 Y=0.67178000 Z=0.78243000
      -9: X=0.70790000 Y=0.17178000 Z=0.71757000
      -9: X=0.79210000 Y=0.82822000 Z=0.21757000
O          NPT=  781  R0=.000100000 RMT= 1.36        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000