P LATTICE,NONEQUIV.ATOMS 18 4 P21 MODE OF CALC=RELA unit=bohr 20.656596 20.652817 9.686736 90.000000 90.000000119.949000 ATOM -1: X=0.49500000 Y=0.73940000 Z=0.27920000 MULT= 2 ISPLIT= 8 -1: X=0.50500000 Y=0.26060000 Z=0.77920000 Zn NPT= 781 R0=.000050000 RMT= 2.03 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.99380000 Y=0.23830000 Z=0.27880000 MULT= 2 ISPLIT= 8 -2: X=0.00620000 Y=0.76170000 Z=0.77880000 Zn NPT= 781 R0=.000050000 RMT= 2.03 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.18320000 Y=0.08180000 Z=0.19510000 MULT= 2 ISPLIT= 8 -3: X=0.81680000 Y=0.91820000 Z=0.69510000 I NPT= 781 R0=.000010000 RMT= 1.73 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.31540000 Y=0.41430000 Z=0.69570000 MULT= 2 ISPLIT= 8 -4: X=0.68460000 Y=0.58570000 Z=0.19570000 I NPT= 781 R0=.000010000 RMT= 1.73 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.15400000 Y=0.58700000 Z=0.21010000 MULT= 2 ISPLIT= 8 -5: X=0.84600000 Y=0.41300000 Z=0.71010000 I NPT= 781 R0=.000010000 RMT= 1.73 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.65250000 Y=0.08380000 Z=0.20910000 MULT= 2 ISPLIT= 8 -6: X=0.34750000 Y=0.91620000 Z=0.70910000 I NPT= 781 R0=.000010000 RMT= 1.73 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.31900000 Y=0.22000000 Z=0.00800000 MULT= 2 ISPLIT= 8 -7: X=0.68100000 Y=0.78000000 Z=0.50800000 O NPT= 781 R0=.000100000 RMT= 1.49 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=0.84200000 Y=0.05900000 Z=0.48500000 MULT= 2 ISPLIT= 8 -8: X=0.15800000 Y=0.94100000 Z=0.98500000 O NPT= 781 R0=.000100000 RMT= 1.49 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=0.03800000 Y=0.09890000 Z=0.07800000 MULT= 2 ISPLIT= 8 -9: X=0.96200000 Y=0.90110000 Z=0.57800000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -10: X=0.45300000 Y=0.38500000 Z=0.55700000 MULT= 2 ISPLIT= 8 -10: X=0.54700000 Y=0.61500000 Z=0.05700000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -11: X=0.16700000 Y=0.27200000 Z=0.53100000 MULT= 2 ISPLIT= 8 -11: X=0.83300000 Y=0.72800000 Z=0.03100000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -12: X=0.65800000 Y=0.42800000 Z=0.01300000 MULT= 2 ISPLIT= 8 -12: X=0.34200000 Y=0.57200000 Z=0.51300000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -13: X=0.31200000 Y=0.68500000 Z=0.05200000 MULT= 2 ISPLIT= 8 -13: X=0.68800000 Y=0.31500000 Z=0.55200000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -14: X=0.10900000 Y=0.42200000 Z=0.04400000 MULT= 2 ISPLIT= 8 -14: X=0.89100000 Y=0.57800000 Z=0.54400000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -15: X=0.03330000 Y=0.61930000 Z=0.01600000 MULT= 2 ISPLIT= 8 -15: X=0.96670000 Y=0.38070000 Z=0.51600000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -16: X=0.45200000 Y=0.87600000 Z=0.47200000 MULT= 2 ISPLIT= 8 -16: X=0.54800000 Y=0.12400000 Z=0.97200000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -17: X=0.82400000 Y=0.20500000 Z=0.04700000 MULT= 2 ISPLIT= 8 -17: X=0.17600000 Y=0.79500000 Z=0.54700000 O NPT= 781 R0=.000100000 RMT= 1.49 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 -18: X=0.38400000 Y=0.08540000 Z=0.57000000 MULT= 2 ISPLIT= 8 -18: X=0.61600000 Y=0.91460000 Z=0.07000000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000