P LATTICE,NONEQUIV.ATOMS 11 4 P21 MODE OF CALC=RELA unit=bohr 13.683507 9.785002 15.890707 90.000000 90.000000 99.351000 ATOM -1: X=0.35499000 Y=0.51609000 Z=0.25046000 MULT= 2 ISPLIT= 8 -1: X=0.64501000 Y=0.48391000 Z=0.75046000 Te NPT= 781 R0=.000010000 RMT= 1.90 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.01575000 Y=0.07776000 Z=0.53137000 MULT= 2 ISPLIT= 8 -2: X=0.98425000 Y=0.92224000 Z=0.03137000 Mo NPT= 781 R0=.000010000 RMT= 1.72 Z: 42.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.51059000 Y=0.05121000 Z=0.03915000 MULT= 2 ISPLIT= 8 -3: X=0.48941000 Y=0.94879000 Z=0.53915000 Zn NPT= 781 R0=.000050000 RMT= 1.96 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 -4: X=0.76052000 Y=0.52197000 Z=0.35956000 MULT= 2 ISPLIT= 8 -4: X=0.23948000 Y=0.47803000 Z=0.85956000 Zn NPT= 781 R0=.000050000 RMT= 1.96 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 -5: X=0.36550000 Y=0.70380000 Z=0.05820000 MULT= 2 ISPLIT= 8 -5: X=0.63450000 Y=0.29620000 Z=0.55820000 O NPT= 781 R0=.000100000 RMT= 1.55 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=0.45390000 Y=0.24490000 Z=0.84790000 MULT= 2 ISPLIT= 8 -6: X=0.54610000 Y=0.75510000 Z=0.34790000 O NPT= 781 R0=.000100000 RMT= 1.55 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=0.15730000 Y=0.20840000 Z=0.05590000 MULT= 2 ISPLIT= 8 -7: X=0.84270000 Y=0.79160000 Z=0.55590000 O NPT= 781 R0=.000100000 RMT= 1.55 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=0.54330000 Y=0.31150000 Z=0.20930000 MULT= 2 ISPLIT= 8 -8: X=0.45670000 Y=0.68850000 Z=0.70930000 O NPT= 781 R0=.000100000 RMT= 1.55 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=0.94900000 Y=0.27670000 Z=0.37810000 MULT= 2 ISPLIT= 8 -9: X=0.05100000 Y=0.72330000 Z=0.87810000 O NPT= 781 R0=.000100000 RMT= 1.55 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=0.05010000 Y=0.25610000 Z=0.70760000 MULT= 2 ISPLIT= 8 -10: X=0.94990000 Y=0.74390000 Z=0.20760000 O NPT= 781 R0=.000100000 RMT= 1.55 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=0.23190000 Y=0.99390000 Z=0.47210000 MULT= 2 ISPLIT= 8 -11: X=0.76810000 Y=0.00610000 Z=0.97210000 O NPT= 781 R0=.000100000 RMT= 1.55 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000