P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 32.359670 10.506499 12.249772 90.000000 90.000000 90.000000 ATOM -1: X=0.11688000 Y=0.25000000 Z=0.17560000 MULT= 4 ISPLIT= 8 -1: X=0.88312000 Y=0.75000000 Z=0.82440000 -1: X=0.61688000 Y=0.25000000 Z=0.32440000 -1: X=0.38312000 Y=0.75000000 Z=0.67560000 Sb NPT= 781 R0=.000010000 RMT= 1.95 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.25798000 Y=0.25000000 Z=0.75166000 MULT= 4 ISPLIT= 8 -2: X=0.74202000 Y=0.75000000 Z=0.24834000 -2: X=0.75798000 Y=0.25000000 Z=0.74834000 -2: X=0.24202000 Y=0.75000000 Z=0.25166000 Sb NPT= 781 R0=.000010000 RMT= 1.95 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.40989000 Y=0.25000000 Z=0.01732000 MULT= 4 ISPLIT= 8 -3: X=0.59011000 Y=0.75000000 Z=0.98268000 -3: X=0.90989000 Y=0.25000000 Z=0.48268000 -3: X=0.09011000 Y=0.75000000 Z=0.51732000 Zn NPT= 781 R0=.000050000 RMT= 2.09 Z: 30.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.02848000 Y=0.25000000 Z=0.63270000 MULT= 4 ISPLIT= 8 -4: X=0.97152000 Y=0.75000000 Z=0.36730000 -4: X=0.52848000 Y=0.25000000 Z=0.86730000 -4: X=0.47152000 Y=0.75000000 Z=0.13270000 Cl NPT= 781 R0=.000100000 RMT= 1.95 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.37649000 Y=0.25000000 Z=0.35210000 MULT= 4 ISPLIT= 8 -5: X=0.62351000 Y=0.75000000 Z=0.64790000 -5: X=0.87649000 Y=0.25000000 Z=0.14790000 -5: X=0.12351000 Y=0.75000000 Z=0.85210000 Cl NPT= 781 R0=.000100000 RMT= 1.95 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.21690000 Y=0.25000000 Z=0.02990000 MULT= 4 ISPLIT= 8 -6: X=0.78310000 Y=0.75000000 Z=0.97010000 -6: X=0.71690000 Y=0.25000000 Z=0.47010000 -6: X=0.28310000 Y=0.75000000 Z=0.52990000 O NPT= 781 R0=.000100000 RMT= 1.68 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.15930000 Y=0.51740000 Z=0.34800000 MULT= 8 ISPLIT= 8 -7: X=0.84070000 Y=0.48260000 Z=0.65200000 -7: X=0.65930000 Y=0.51740000 Z=0.15200000 -7: X=0.34070000 Y=0.48260000 Z=0.84800000 -7: X=0.34070000 Y=0.01740000 Z=0.84800000 -7: X=0.65930000 Y=0.98260000 Z=0.15200000 -7: X=0.84070000 Y=0.01740000 Z=0.65200000 -7: X=0.15930000 Y=0.98260000 Z=0.34800000 O NPT= 781 R0=.000100000 RMT= 1.68 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000