CXZ LATTICE,NONEQUIV.ATOMS 8 15 B2/b MODE OF CALC=RELA unit=bohr 10.006100 18.957733 17.355245 90.000000 90.000000 79.870000 ATOM -1: X=0.73900000 Y=0.00100000 Z=0.07800000 MULT= 4 ISPLIT= 8 -1: X=0.26100000 Y=0.99900000 Z=0.92200000 -1: X=0.26100000 Y=0.49900000 Z=0.07800000 -1: X=0.73900000 Y=0.50100000 Z=0.92200000 Li NPT= 781 R0=.000100000 RMT= 1.81 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.75000000 Y=0.50000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.25000000 Y=0.00000000 Z=0.25000000 Li NPT= 781 R0=.000100000 RMT= 1.81 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.25000000 Z=0.41700000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.75000000 Z=0.58300000 Li NPT= 781 R0=.000100000 RMT= 1.81 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.25000000 Z=0.08350000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.75000000 Z=0.91650000 Sn NPT= 781 R0=.000010000 RMT= 2.08 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 -5: X=0.00000000 Y=0.25000000 Z=0.74920000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.75000000 Z=0.25080000 Sn NPT= 781 R0=.000010000 RMT= 2.08 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 -6: X=0.86630000 Y=0.13330000 Z=0.24030000 MULT= 4 ISPLIT= 8 -6: X=0.13370000 Y=0.86670000 Z=0.75970000 -6: X=0.13370000 Y=0.36670000 Z=0.24030000 -6: X=0.86630000 Y=0.63330000 Z=0.75970000 O NPT= 781 R0=.000100000 RMT= 1.79 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.88980000 Y=0.63420000 Z=0.08440000 MULT= 4 ISPLIT= 8 -7: X=0.11020000 Y=0.36580000 Z=0.91560000 -7: X=0.11020000 Y=0.86580000 Z=0.08440000 -7: X=0.88980000 Y=0.13420000 Z=0.91560000 O NPT= 781 R0=.000100000 RMT= 1.79 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.63460000 Y=0.36710000 Z=0.09080000 MULT= 4 ISPLIT= 8 -8: X=0.36540000 Y=0.63290000 Z=0.90920000 -8: X=0.36540000 Y=0.13290000 Z=0.09080000 -8: X=0.63460000 Y=0.86710000 Z=0.90920000 O NPT= 781 R0=.000100000 RMT= 1.79 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000