P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.877479 10.162947 19.044660 90.000000 90.000000 90.000000 ATOM -1: X=0.25120000 Y=0.25000000 Z=0.39320000 MULT= 4 ISPLIT= 8 -1: X=0.74880000 Y=0.75000000 Z=0.60680000 -1: X=0.75120000 Y=0.25000000 Z=0.10680000 -1: X=0.24880000 Y=0.75000000 Z=0.89320000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.15610000 Y=0.25000000 Z=0.07230000 MULT= 4 ISPLIT= 8 -2: X=0.84390000 Y=0.75000000 Z=0.92770000 -2: X=0.65610000 Y=0.25000000 Z=0.42770000 -2: X=0.34390000 Y=0.75000000 Z=0.57230000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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 -3: X=0.02130000 Y=0.25000000 Z=0.68080000 MULT= 4 ISPLIT= 8 -3: X=0.97870000 Y=0.75000000 Z=0.31920000 -3: X=0.52130000 Y=0.25000000 Z=0.81920000 -3: X=0.47870000 Y=0.75000000 Z=0.18080000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000