CXY LATTICE,NONEQUIV.ATOMS 2 63 Cmcm MODE OF CALC=RELA unit=bohr 9.001332 22.508528 8.331614 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.36193000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.63807000 Z=0.75000000 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=0.00000000 Y=0.08488000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.91512000 Z=0.75000000 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