P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 10.786557 15.251980 10.795250 90.000000 90.000000 90.000000 ATOM -1: X=0.47988000 Y=0.25000000 Z=0.00320000 MULT= 4 ISPLIT= 8 -1: X=0.52012000 Y=0.75000000 Z=0.99680000 -1: X=0.97988000 Y=0.25000000 Z=0.49680000 -1: X=0.02012000 Y=0.75000000 Z=0.50320000 Sr NPT= 781 R0=.000010000 RMT= 2.38 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.50000000 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 -2: X=0.00000000 Y=0.50000000 Z=0.00000000 Sn NPT= 781 R0=.000010000 RMT= 2.07 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=0.51120000 Y=0.25000000 Z=0.56070000 MULT= 4 ISPLIT= 8 -3: X=0.48880000 Y=0.75000000 Z=0.43930000 -3: X=0.01120000 Y=0.25000000 Z=0.93930000 -3: X=0.98880000 Y=0.75000000 Z=0.06070000 O NPT= 781 R0=.000100000 RMT= 1.78 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 -4: X=0.21994000 Y=0.03234000 Z=0.27907000 MULT= 8 ISPLIT= 8 -4: X=0.78006000 Y=0.96766000 Z=0.72093000 -4: X=0.71994000 Y=0.03234000 Z=0.22093000 -4: X=0.28006000 Y=0.96766000 Z=0.77907000 -4: X=0.28006000 Y=0.53234000 Z=0.77907000 -4: X=0.71994000 Y=0.46766000 Z=0.22093000 -4: X=0.78006000 Y=0.53234000 Z=0.72093000 -4: X=0.21994000 Y=0.46766000 Z=0.27907000 O NPT= 781 R0=.000100000 RMT= 1.78 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000