R LATTICE,NONEQUIV.ATOMS 6 167 R-3c MODE OF CALC=RELA unit=bohr 11.773183 11.773183 69.950669 90.000000 90.000000120.000000 ATOM -1: X=0.17177000 Y=0.17177000 Z=0.17177000 MULT= 4 ISPLIT= 4 -1: X=0.82823000 Y=0.82823000 Z=0.82823000 -1: X=0.67177000 Y=0.67177000 Z=0.67177000 -1: X=0.32823000 Y=0.32823000 Z=0.32823000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.88680000 Y=0.61320000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.11320000 Y=0.38680000 Z=0.75000000 -2: X=0.61320000 Y=0.25000000 Z=0.88680000 -2: X=0.38680000 Y=0.75000000 Z=0.11320000 -2: X=0.25000000 Y=0.88680000 Z=0.61320000 -2: X=0.75000000 Y=0.11320000 Z=0.38680000 Nb NPT= 781 R0=.000010000 RMT= 1.95 Z: 41.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -3: X=0.50000000 Y=0.50000000 Z=0.50000000 Nb NPT= 781 R0=.000010000 RMT= 1.95 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.06261000 Y=0.27530000 Z=0.75491000 MULT=12 ISPLIT= 8 -4: X=0.93739000 Y=0.72470000 Z=0.24509000 -4: X=0.27530000 Y=0.75491000 Z=0.06261000 -4: X=0.72470000 Y=0.24509000 Z=0.93739000 -4: X=0.56261000 Y=0.25491000 Z=0.77530000 -4: X=0.43739000 Y=0.74509000 Z=0.22470000 -4: X=0.75491000 Y=0.06261000 Z=0.27530000 -4: X=0.24509000 Y=0.93739000 Z=0.72470000 -4: X=0.25491000 Y=0.77530000 Z=0.56261000 -4: X=0.74509000 Y=0.22470000 Z=0.43739000 -4: X=0.77530000 Y=0.56261000 Z=0.25491000 -4: X=0.22470000 Y=0.43739000 Z=0.74509000 O NPT= 781 R0=.000100000 RMT= 1.76 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=0.49820000 Y=0.00180000 Z=0.25000000 MULT= 6 ISPLIT= 8 -5: X=0.50180000 Y=0.99820000 Z=0.75000000 -5: X=0.00180000 Y=0.25000000 Z=0.49820000 -5: X=0.99820000 Y=0.75000000 Z=0.50180000 -5: X=0.25000000 Y=0.49820000 Z=0.00180000 -5: X=0.75000000 Y=0.50180000 Z=0.99820000 O NPT= 781 R0=.000100000 RMT= 1.76 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 -6: X=0.09293000 Y=0.09293000 Z=0.09293000 MULT= 4 ISPLIT= 4 -6: X=0.90707000 Y=0.90707000 Z=0.90707000 -6: X=0.59293000 Y=0.59293000 Z=0.59293000 -6: X=0.40707000 Y=0.40707000 Z=0.40707000 O NPT= 781 R0=.000100000 RMT= 1.76 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000