P LATTICE,NONEQUIV.ATOMS 7 55 Pbam MODE OF CALC=RELA unit=bohr 14.962852 15.682837 11.138046 90.000000 90.000000 90.000000 ATOM -1: X=0.32563000 Y=0.32873000 Z=0.50000000 MULT= 4 ISPLIT= 8 -1: X=0.67437000 Y=0.67127000 Z=0.50000000 -1: X=0.17437000 Y=0.82873000 Z=0.50000000 -1: X=0.82563000 Y=0.17127000 Z=0.50000000 Bi NPT= 781 R0=.000005000 RMT= 2.20 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=0.00000000 Y=0.50000000 Z=0.24180000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.50000000 Z=0.75820000 -2: X=0.50000000 Y=0.00000000 Z=0.24180000 -2: X=0.50000000 Y=0.00000000 Z=0.75820000 Ga NPT= 781 R0=.000050000 RMT= 1.76 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=0.14830000 Y=0.16260000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.85170000 Y=0.83740000 Z=0.00000000 -3: X=0.35170000 Y=0.66260000 Z=0.00000000 -3: X=0.64830000 Y=0.33740000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 1.76 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 -4: X=0.35070000 Y=0.06910000 Z=0.50000000 MULT= 4 ISPLIT= 8 -4: X=0.64930000 Y=0.93090000 Z=0.50000000 -4: X=0.14930000 Y=0.56910000 Z=0.50000000 -4: X=0.85070000 Y=0.43090000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.60 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 -5: X=0.13120000 Y=0.29340000 Z=0.25650000 MULT= 8 ISPLIT= 8 -5: X=0.86880000 Y=0.70660000 Z=0.74350000 -5: X=0.13120000 Y=0.29340000 Z=0.74350000 -5: X=0.86880000 Y=0.70660000 Z=0.25650000 -5: X=0.36880000 Y=0.79340000 Z=0.25650000 -5: X=0.63120000 Y=0.20660000 Z=0.74350000 -5: X=0.36880000 Y=0.79340000 Z=0.74350000 -5: X=0.63120000 Y=0.20660000 Z=0.25650000 O NPT= 781 R0=.000100000 RMT= 1.60 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=0.37040000 Y=0.09340000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.62960000 Y=0.90660000 Z=0.00000000 -6: X=0.12960000 Y=0.59340000 Z=0.00000000 -6: X=0.87040000 Y=0.40660000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.60 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 -7: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.50000000 Y=0.50000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.60 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000