CXY LATTICE,NONEQUIV.ATOMS 4 64 Cmca MODE OF CALC=RELA unit=bohr 10.823217 23.888217 10.841737 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.50000000 Z=0.50000000 Sn NPT= 781 R0=.000010000 RMT= 2.05 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.14741000 Z=0.49520000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.85259000 Z=0.50480000 -2: X=0.00000000 Y=0.64741000 Z=0.00480000 -2: X=0.00000000 Y=0.35259000 Z=0.99520000 Sr NPT= 781 R0=.000010000 RMT= 2.25 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.25000000 Y=0.49280000 Z=0.25000000 MULT= 4 ISPLIT= 8 -3: X=0.75000000 Y=0.50720000 Z=0.75000000 -3: X=0.25000000 Y=0.99280000 Z=0.25000000 -3: X=0.75000000 Y=0.00720000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.76 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=0.00000000 Y=0.16304000 Z=0.01990000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.83696000 Z=0.98010000 -4: X=0.00000000 Y=0.66304000 Z=0.48010000 -4: X=0.00000000 Y=0.33696000 Z=0.51990000 O NPT= 781 R0=.000100000 RMT= 1.76 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000