P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 11.056788 35.910466 11.037890 90.000000 90.000000 90.000000 ATOM -1: X=0.25180000 Y=0.06366000 Z=0.00210000 MULT= 8 ISPLIT=15 -1: X=0.74820000 Y=0.93634000 Z=0.99790000 -1: X=0.75180000 Y=0.06366000 Z=0.49790000 -1: X=0.24820000 Y=0.93634000 Z=0.50210000 -1: X=0.24820000 Y=0.56366000 Z=0.50210000 -1: X=0.75180000 Y=0.43634000 Z=0.49790000 -1: X=0.74820000 Y=0.56366000 Z=0.99790000 -1: X=0.25180000 Y=0.43634000 Z=0.00210000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.14970000 Y=0.25000000 Z=0.42840000 MULT= 4 ISPLIT=15 -2: X=0.85030000 Y=0.75000000 Z=0.57160000 -2: X=0.64970000 Y=0.25000000 Z=0.07160000 -2: X=0.35030000 Y=0.75000000 Z=0.92840000 Sn NPT= 781 R0=.000010000 RMT= 2.00000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.50050000 Z=0.24900000 MULT= 8 ISPLIT=15 -3: X=0.00000000 Y=0.49950000 Z=0.75100000 -3: X=0.50000000 Y=0.50050000 Z=0.25100000 -3: X=0.50000000 Y=0.49950000 Z=0.74900000 -3: X=0.50000000 Y=0.00050000 Z=0.74900000 -3: X=0.50000000 Y=0.99950000 Z=0.25100000 -3: X=0.00000000 Y=0.00050000 Z=0.75100000 -3: X=0.00000000 Y=0.99950000 Z=0.24900000 O NPT= 781 R0=.000100000 RMT= 2.00000 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 -4: X=0.24100000 Y=0.25000000 Z=0.01920000 MULT= 4 ISPLIT=15 -4: X=0.75900000 Y=0.75000000 Z=0.98080000 -4: X=0.74100000 Y=0.25000000 Z=0.48080000 -4: X=0.25900000 Y=0.75000000 Z=0.51920000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.25640000 Y=0.13440000 Z=0.51340000 MULT= 8 ISPLIT=15 -5: X=0.74360000 Y=0.86560000 Z=0.48660000 -5: X=0.75640000 Y=0.13440000 Z=0.98660000 -5: X=0.24360000 Y=0.86560000 Z=0.01340000 -5: X=0.24360000 Y=0.63440000 Z=0.01340000 -5: X=0.75640000 Y=0.36560000 Z=0.98660000 -5: X=0.74360000 Y=0.63440000 Z=0.48660000 -5: X=0.25640000 Y=0.36560000 Z=0.51340000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000