P LATTICE,NONEQUIV.ATOMS 10 62 Pnma MODE OF CALC=RELA unit=bohr 15.320010 21.529650 12.670614 90.000000 90.000000 90.000000 ATOM -1: X=0.16686000 Y=0.02679000 Z=0.11948000 MULT= 8 ISPLIT= 8 -1: X=0.83314000 Y=0.97321000 Z=0.88052000 -1: X=0.66686000 Y=0.02679000 Z=0.38052000 -1: X=0.33314000 Y=0.97321000 Z=0.61948000 -1: X=0.33314000 Y=0.52679000 Z=0.61948000 -1: X=0.66686000 Y=0.47321000 Z=0.38052000 -1: X=0.83314000 Y=0.52679000 Z=0.88052000 -1: X=0.16686000 Y=0.47321000 Z=0.11948000 Bi NPT= 781 R0=.000005000 RMT= 2.16 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.01046000 Y=0.12410000 Z=0.52820000 MULT= 8 ISPLIT= 8 -2: X=0.98954000 Y=0.87590000 Z=0.47180000 -2: X=0.51046000 Y=0.12410000 Z=0.97180000 -2: X=0.48954000 Y=0.87590000 Z=0.02820000 -2: X=0.48954000 Y=0.62410000 Z=0.02820000 -2: X=0.51046000 Y=0.37590000 Z=0.97180000 -2: X=0.98954000 Y=0.62410000 Z=0.47180000 -2: X=0.01046000 Y=0.37590000 Z=0.52820000 Ga NPT= 781 R0=.000050000 RMT= 1.75 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.34310000 Y=0.25000000 Z=0.36690000 MULT= 4 ISPLIT= 8 -3: X=0.65690000 Y=0.75000000 Z=0.63310000 -3: X=0.84310000 Y=0.25000000 Z=0.13310000 -3: X=0.15690000 Y=0.75000000 Z=0.86690000 Ga NPT= 781 R0=.000050000 RMT= 1.75 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.21040000 Y=0.25000000 Z=0.87830000 MULT= 4 ISPLIT= 8 -4: X=0.78960000 Y=0.75000000 Z=0.12170000 -4: X=0.71040000 Y=0.25000000 Z=0.62170000 -4: X=0.28960000 Y=0.75000000 Z=0.37830000 Ga NPT= 781 R0=.000050000 RMT= 1.75 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.42540000 Y=0.01730000 Z=0.17320000 MULT= 8 ISPLIT= 8 -5: X=0.57460000 Y=0.98270000 Z=0.82680000 -5: X=0.92540000 Y=0.01730000 Z=0.32680000 -5: X=0.07460000 Y=0.98270000 Z=0.67320000 -5: X=0.07460000 Y=0.51730000 Z=0.67320000 -5: X=0.92540000 Y=0.48270000 Z=0.32680000 -5: X=0.57460000 Y=0.51730000 Z=0.82680000 -5: X=0.42540000 Y=0.48270000 Z=0.17320000 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 -6: X=0.38130000 Y=0.25000000 Z=0.09660000 MULT= 4 ISPLIT= 8 -6: X=0.61870000 Y=0.75000000 Z=0.90340000 -6: X=0.88130000 Y=0.25000000 Z=0.40340000 -6: X=0.11870000 Y=0.75000000 Z=0.59660000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.07300000 Y=0.25000000 Z=0.67300000 MULT= 4 ISPLIT= 8 -7: X=0.92700000 Y=0.75000000 Z=0.32700000 -7: X=0.57300000 Y=0.25000000 Z=0.82700000 -7: X=0.42700000 Y=0.75000000 Z=0.17300000 O NPT= 781 R0=.000100000 RMT= 1.58 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 -8: X=0.22020000 Y=0.12030000 Z=0.40300000 MULT= 8 ISPLIT= 8 -8: X=0.77980000 Y=0.87970000 Z=0.59700000 -8: X=0.72020000 Y=0.12030000 Z=0.09700000 -8: X=0.27980000 Y=0.87970000 Z=0.90300000 -8: X=0.27980000 Y=0.62030000 Z=0.90300000 -8: X=0.72020000 Y=0.37970000 Z=0.09700000 -8: X=0.77980000 Y=0.62030000 Z=0.59700000 -8: X=0.22020000 Y=0.37970000 Z=0.40300000 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=0.18770000 Y=0.61320000 Z=0.32010000 MULT= 8 ISPLIT= 8 -9: X=0.81230000 Y=0.38680000 Z=0.67990000 -9: X=0.68770000 Y=0.61320000 Z=0.17990000 -9: X=0.31230000 Y=0.38680000 Z=0.82010000 -9: X=0.31230000 Y=0.11320000 Z=0.82010000 -9: X=0.68770000 Y=0.88680000 Z=0.17990000 -9: X=0.81230000 Y=0.11320000 Z=0.67990000 -9: X=0.18770000 Y=0.88680000 Z=0.32010000 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=0.05920000 Y=0.25000000 Z=0.07600000 MULT= 4 ISPLIT= 8 -10: X=0.94080000 Y=0.75000000 Z=0.92400000 -10: X=0.55920000 Y=0.25000000 Z=0.42400000 -10: X=0.44080000 Y=0.75000000 Z=0.57600000 O NPT= 781 R0=.000100000 RMT= 1.58 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000