P LATTICE,NONEQUIV.ATOMS 14 4 P21 MODE OF CALC=RELA unit=bohr 16.075144 9.775931 16.799287 90.000000 90.000000 92.875000 ATOM -1: X=0.49680000 Y=0.25300000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50320000 Y=0.74700000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.33 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.02500000 Y=0.21110000 Z=0.00610000 MULT= 2 ISPLIT= 8 -2: X=0.97500000 Y=0.78890000 Z=0.50610000 Sr NPT= 781 R0=.000010000 RMT= 2.33 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.19300000 Y=0.72800000 Z=0.17100000 MULT= 2 ISPLIT= 8 -3: X=0.80700000 Y=0.27200000 Z=0.67100000 Al NPT= 781 R0=.000100000 RMT= 1.58 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.20400000 Y=0.26300000 Z=0.66800000 MULT= 2 ISPLIT= 8 -4: X=0.79600000 Y=0.73700000 Z=0.16800000 Al NPT= 781 R0=.000100000 RMT= 1.58 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.69800000 Y=0.22600000 Z=0.33900000 MULT= 2 ISPLIT= 8 -5: X=0.30200000 Y=0.77400000 Z=0.83900000 Al NPT= 781 R0=.000100000 RMT= 1.58 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.32100000 Y=0.21400000 Z=0.32900000 MULT= 2 ISPLIT= 8 -6: X=0.67900000 Y=0.78600000 Z=0.82900000 Al NPT= 781 R0=.000100000 RMT= 1.58 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.26130000 Y=0.43200000 Z=0.82930000 MULT= 2 ISPLIT= 8 -7: X=0.73870000 Y=0.56800000 Z=0.32930000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.27170000 Y=0.42180000 Z=0.17980000 MULT= 2 ISPLIT= 8 -8: X=0.72830000 Y=0.57820000 Z=0.67980000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.32150000 Y=0.35800000 Z=0.50860000 MULT= 2 ISPLIT= 8 -9: X=0.67850000 Y=0.64200000 Z=0.00860000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.74220000 Y=0.09890000 Z=0.51390000 MULT= 2 ISPLIT= 8 -10: X=0.25780000 Y=0.90110000 Z=0.01390000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.81290000 Y=0.06930000 Z=0.19660000 MULT= 2 ISPLIT= 8 -11: X=0.18710000 Y=0.93070000 Z=0.69660000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.21070000 Y=0.92200000 Z=0.32880000 MULT= 2 ISPLIT= 8 -12: X=0.78930000 Y=0.07800000 Z=0.82880000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.50510000 Y=0.12900000 Z=0.29240000 MULT= 2 ISPLIT= 8 -13: X=0.49490000 Y=0.87100000 Z=0.79240000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.01060000 Y=0.34320000 Z=0.62170000 MULT= 2 ISPLIT= 8 -14: X=0.98940000 Y=0.65680000 Z=0.12170000 O NPT= 781 R0=.000100000 RMT= 1.58 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000