CXY LATTICE,NONEQUIV.ATOMS 11 36 Cmc21 MODE OF CALC=RELA unit=bohr 7.445521 51.306065 10.756321 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.55298000 Z=0.25700000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.44702000 Z=0.75700000 Sr NPT= 781 R0=.000010000 RMT= 2.31 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 -2: X=0.00000000 Y=0.28808000 Z=0.24500000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.71192000 Z=0.74500000 Sr NPT= 781 R0=.000010000 RMT= 2.31 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=0.00000000 Y=0.05524000 Z=0.75000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.94476000 Z=0.25000000 Ta NPT= 781 R0=.000005000 RMT= 1.84 Z: 73.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.16012000 Z=0.24780000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.83988000 Z=0.74780000 Ta NPT= 781 R0=.000005000 RMT= 1.84 Z: 73.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.00200000 Z=0.49500000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.99800000 Z=0.99500000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -6: X=0.00000000 Y=0.09900000 Z=0.02300000 MULT= 2 ISPLIT= 8 -6: X=0.00000000 Y=0.90100000 Z=0.52300000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.00000000 Y=0.20500000 Z=0.00900000 MULT= 2 ISPLIT= 8 -7: X=0.00000000 Y=0.79500000 Z=0.50900000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -8: X=0.00000000 Y=0.45400000 Z=0.29200000 MULT= 2 ISPLIT= 8 -8: X=0.00000000 Y=0.54600000 Z=0.79200000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -9: X=0.00000000 Y=0.64900000 Z=0.28500000 MULT= 2 ISPLIT= 8 -9: X=0.00000000 Y=0.35100000 Z=0.78500000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -10: X=0.00000000 Y=0.10000000 Z=0.51000000 MULT= 2 ISPLIT= 8 -10: X=0.00000000 Y=0.90000000 Z=0.01000000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -11: X=0.00000000 Y=0.20900000 Z=0.48600000 MULT= 2 ISPLIT= 8 -11: X=0.00000000 Y=0.79100000 Z=0.98600000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000