P LATTICE,NONEQUIV.ATOMS 3 56 Pccn MODE OF CALC=RELA unit=bohr 9.826576 23.734960 10.431288 90.000000 90.000000 90.000000 ATOM -1: X=0.05300000 Y=0.12700000 Z=0.18000000 MULT= 8 ISPLIT= 8 -1: X=0.94700000 Y=0.87300000 Z=0.82000000 -1: X=0.55300000 Y=0.62700000 Z=0.82000000 -1: X=0.44700000 Y=0.37300000 Z=0.18000000 -1: X=0.44700000 Y=0.12700000 Z=0.68000000 -1: X=0.55300000 Y=0.87300000 Z=0.32000000 -1: X=0.94700000 Y=0.62700000 Z=0.32000000 -1: X=0.05300000 Y=0.37300000 Z=0.68000000 Sb NPT= 781 R0=.000010000 RMT= 2.04 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.25000000 Y=0.25000000 Z=0.01800000 MULT= 4 ISPLIT= 8 -2: X=0.75000000 Y=0.75000000 Z=0.98200000 -2: X=0.25000000 Y=0.25000000 Z=0.51800000 -2: X=0.75000000 Y=0.75000000 Z=0.48200000 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 -3: X=0.34900000 Y=0.05700000 Z=0.35700000 MULT= 8 ISPLIT= 8 -3: X=0.65100000 Y=0.94300000 Z=0.64300000 -3: X=0.84900000 Y=0.55700000 Z=0.64300000 -3: X=0.15100000 Y=0.44300000 Z=0.35700000 -3: X=0.15100000 Y=0.05700000 Z=0.85700000 -3: X=0.84900000 Y=0.94300000 Z=0.14300000 -3: X=0.65100000 Y=0.55700000 Z=0.14300000 -3: X=0.34900000 Y=0.44300000 Z=0.85700000 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