P LATTICE,NONEQUIV.ATOMS 11 62 Pnma MODE OF CALC=RELA unit=bohr 24.220620 18.568449 20.361799 90.000000 90.000000 90.000000 ATOM -1: X=0.31680000 Y=0.25000000 Z=0.49520000 MULT= 4 ISPLIT= 8 -1: X=0.68320000 Y=0.75000000 Z=0.50480000 -1: X=0.81680000 Y=0.25000000 Z=0.00480000 -1: X=0.18320000 Y=0.75000000 Z=0.99520000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.67060000 Y=0.25000000 Z=0.59890000 MULT= 4 ISPLIT= 8 -2: X=0.32940000 Y=0.75000000 Z=0.40110000 -2: X=0.17060000 Y=0.25000000 Z=0.90110000 -2: X=0.82940000 Y=0.75000000 Z=0.09890000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.46950000 Y=0.25000000 Z=0.66280000 MULT= 4 ISPLIT= 8 -3: X=0.53050000 Y=0.75000000 Z=0.33720000 -3: X=0.96950000 Y=0.25000000 Z=0.83720000 -3: X=0.03050000 Y=0.75000000 Z=0.16280000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.05580000 Y=0.25000000 Z=0.27940000 MULT= 4 ISPLIT= 8 -4: X=0.94420000 Y=0.75000000 Z=0.72060000 -4: X=0.55580000 Y=0.25000000 Z=0.22060000 -4: X=0.44420000 Y=0.75000000 Z=0.77940000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.41250000 Y=0.25000000 Z=0.09930000 MULT= 4 ISPLIT= 8 -5: X=0.58750000 Y=0.75000000 Z=0.90070000 -5: X=0.91250000 Y=0.25000000 Z=0.40070000 -5: X=0.08750000 Y=0.75000000 Z=0.59930000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.16860000 Y=0.25000000 Z=0.65230000 MULT= 4 ISPLIT= 8 -6: X=0.83140000 Y=0.75000000 Z=0.34770000 -6: X=0.66860000 Y=0.25000000 Z=0.84770000 -6: X=0.33140000 Y=0.75000000 Z=0.15230000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.03000000 Y=0.07520000 Z=0.15210000 MULT= 8 ISPLIT= 8 -7: X=0.97000000 Y=0.92480000 Z=0.84790000 -7: X=0.53000000 Y=0.07520000 Z=0.34790000 -7: X=0.47000000 Y=0.92480000 Z=0.65210000 -7: X=0.47000000 Y=0.57520000 Z=0.65210000 -7: X=0.53000000 Y=0.42480000 Z=0.34790000 -7: X=0.97000000 Y=0.57520000 Z=0.84790000 -7: X=0.03000000 Y=0.42480000 Z=0.15210000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.06850000 Y=0.58240000 Z=0.29010000 MULT= 8 ISPLIT= 8 -8: X=0.93150000 Y=0.41760000 Z=0.70990000 -8: X=0.56850000 Y=0.58240000 Z=0.20990000 -8: X=0.43150000 Y=0.41760000 Z=0.79010000 -8: X=0.43150000 Y=0.08240000 Z=0.79010000 -8: X=0.56850000 Y=0.91760000 Z=0.20990000 -8: X=0.93150000 Y=0.08240000 Z=0.70990000 -8: X=0.06850000 Y=0.91760000 Z=0.29010000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.07440000 Y=0.08040000 Z=0.58240000 MULT= 8 ISPLIT= 8 -9: X=0.92560000 Y=0.91960000 Z=0.41760000 -9: X=0.57440000 Y=0.08040000 Z=0.91760000 -9: X=0.42560000 Y=0.91960000 Z=0.08240000 -9: X=0.42560000 Y=0.58040000 Z=0.08240000 -9: X=0.57440000 Y=0.41960000 Z=0.91760000 -9: X=0.92560000 Y=0.58040000 Z=0.41760000 -9: X=0.07440000 Y=0.41960000 Z=0.58240000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.32110000 Y=0.07560000 Z=0.16590000 MULT= 8 ISPLIT= 8 -10: X=0.67890000 Y=0.92440000 Z=0.83410000 -10: X=0.82110000 Y=0.07560000 Z=0.33410000 -10: X=0.17890000 Y=0.92440000 Z=0.66590000 -10: X=0.17890000 Y=0.57560000 Z=0.66590000 -10: X=0.82110000 Y=0.42440000 Z=0.33410000 -10: X=0.67890000 Y=0.57560000 Z=0.83410000 -10: X=0.32110000 Y=0.42440000 Z=0.16590000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.36050000 Y=0.04330000 Z=0.36070000 MULT= 8 ISPLIT= 8 -11: X=0.63950000 Y=0.95670000 Z=0.63930000 -11: X=0.86050000 Y=0.04330000 Z=0.13930000 -11: X=0.13950000 Y=0.95670000 Z=0.86070000 -11: X=0.13950000 Y=0.54330000 Z=0.86070000 -11: X=0.86050000 Y=0.45670000 Z=0.13930000 -11: X=0.63950000 Y=0.54330000 Z=0.63930000 -11: X=0.36050000 Y=0.45670000 Z=0.36070000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000