P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 20.706674 7.445332 7.989006 90.000000 90.000000 90.000000 ATOM -1: X=0.11790000 Y=0.25000000 Z=0.11550000 MULT= 4 ISPLIT= 8 -1: X=0.88210000 Y=0.75000000 Z=0.88450000 -1: X=0.61790000 Y=0.25000000 Z=0.38450000 -1: X=0.38210000 Y=0.75000000 Z=0.61550000 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=0.35370000 Y=0.25000000 Z=0.02530000 MULT= 4 ISPLIT= 8 -2: X=0.64630000 Y=0.75000000 Z=0.97470000 -2: X=0.85370000 Y=0.25000000 Z=0.47470000 -2: X=0.14630000 Y=0.75000000 Z=0.52530000 S NPT= 781 R0=.000100000 RMT= 2.21 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000