Andalusite P LATTICE,NONEQUIV.ATOMS: 758_Pnnm MODE OF CALC=RELA unit=bohr 14.883294 15.035984 10.518972 90.000000 90.000000 90.000000 ATOM -1: X=0.50000000 Y=0.50000000 Z=0.74200000 MULT= 4 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.25800000 -1: X=0.00000000 Y=0.00000000 Z=0.24200000 -1: X=0.00000000 Y=0.00000000 Z=0.75800000 Al NPT= 781 R0=0.00010000 RMT= 1.5000 Z: 13.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.87210000 Y=0.64010000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.12790000 Y=0.35990000 Z=0.00000000 -2: X=0.62790000 Y=0.14010000 Z=0.50000000 -2: X=0.37210000 Y=0.85990000 Z=0.50000000 Al NPT= 781 R0=0.00010000 RMT= 1.5000 Z: 13.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.74630000 Y=0.75470000 Z=0.50000000 MULT= 4 ISPLIT= 8 -3: X=0.25370000 Y=0.24530000 Z=0.50000000 -3: X=0.75370000 Y=0.25470000 Z=0.00000000 -3: X=0.24630000 Y=0.74530000 Z=0.00000000 Si NPT= 781 R0=0.00010000 RMT= 1.5000 Z: 14.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.92310000 Y=0.86500000 Z=0.50000000 MULT= 4 ISPLIT= 8 -4: X=0.07690000 Y=0.13500000 Z=0.50000000 -4: X=0.57690000 Y=0.36500000 Z=0.00000000 -4: X=0.42310000 Y=0.63500000 Z=0.00000000 O NPT= 781 R0=0.00010000 RMT= 1.5000 Z: 8.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.60340000 Y=0.90090000 Z=0.50000000 MULT= 4 ISPLIT= 8 -5: X=0.39660000 Y=0.09910000 Z=0.50000000 -5: X=0.89660000 Y=0.40090000 Z=0.00000000 -5: X=0.10340000 Y=0.59910000 Z=0.00000000 O NPT= 781 R0=0.00010000 RMT= 1.5000 Z: 8.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.92560000 Y=0.86310000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.07440000 Y=0.13690000 Z=0.00000000 -6: X=0.57440000 Y=0.36310000 Z=0.50000000 -6: X=0.42560000 Y=0.63690000 Z=0.50000000 O NPT= 781 R0=0.00010000 RMT= 1.5000 Z: 8.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.73350000 Y=0.63710000 Z=0.73900000 MULT= 8 ISPLIT= 8 -7: X=0.26650000 Y=0.36290000 Z=0.26100000 -7: X=0.73350000 Y=0.63710000 Z=0.26100000 -7: X=0.26650000 Y=0.36290000 Z=0.73900000 -7: X=0.76650000 Y=0.13710000 Z=0.23900000 -7: X=0.23350000 Y=0.86290000 Z=0.76100000 -7: X=0.76650000 Y=0.13710000 Z=0.76100000 -7: X=0.23350000 Y=0.86290000 Z=0.23900000 O NPT= 781 R0=0.00010000 RMT= 1.5000 Z: 8.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 8 NUMBER OF SYMMETRY OPERATIONS 1 0 0 0.0000000 0 1 0 0.0000000 0 0 1 0.0000000 1 -1 0 0 0.0000000 0-1 0 0.0000000 0 0 1 0.0000000 2 -1 0 0 0.5000000 0 1 0 0.5000000 0 0-1 0.5000000 3 1 0 0 0.5000000 0-1 0 0.5000000 0 0-1 0.5000000 4 -1 0 0 0.0000000 0-1 0 0.0000000 0 0-1 0.0000000 5 1 0 0 0.0000000 0 1 0 0.0000000 0 0-1 0.0000000 6 1 0 0 0.5000000 0-1 0 0.5000000 0 0 1 0.5000000 7 -1 0 0 0.5000000 0 1 0 0.5000000 0 0 1 0.5000000 8