CXZ LATTICE,NONEQUIV.ATOMS 9 15 B2/b MODE OF CALC=RELA unit=bohr 23.287095 20.546992 13.490755 90.000000 90.000000 68.420000 ATOM -1: X=0.91290000 Y=0.49930000 Z=0.25990000 MULT= 4 ISPLIT= 8 -1: X=0.08710000 Y=0.50070000 Z=0.74010000 -1: X=0.08710000 Y=0.00070000 Z=0.25990000 -1: X=0.91290000 Y=0.99930000 Z=0.74010000 Sr NPT= 781 R0=.000010000 RMT= 2.32 Z: 38.00000 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=0.00000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.25000000 Y=0.50000000 Z=0.25000000 Sr NPT= 781 R0=.000010000 RMT= 2.32 Z: 38.00000 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=0.66960000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.75000000 Z=0.33040000 Si NPT= 781 R0=.000100000 RMT= 1.36 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.87640000 Y=0.24770000 Z=0.04350000 MULT= 4 ISPLIT= 8 -4: X=0.12360000 Y=0.75230000 Z=0.95650000 -4: X=0.12360000 Y=0.25230000 Z=0.04350000 -4: X=0.87640000 Y=0.74770000 Z=0.95650000 Si NPT= 781 R0=.000100000 RMT= 1.36 Z: 14.00000 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=0.13110000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.75000000 Z=0.86890000 O NPT= 781 R0=.000100000 RMT= 1.58 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 -6: X=0.54700000 Y=0.11340000 Z=0.06680000 MULT= 4 ISPLIT= 8 -6: X=0.45300000 Y=0.88660000 Z=0.93320000 -6: X=0.45300000 Y=0.38660000 Z=0.06680000 -6: X=0.54700000 Y=0.61340000 Z=0.93320000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.60800000 Y=0.24910000 Z=0.31190000 MULT= 4 ISPLIT= 8 -7: X=0.39200000 Y=0.75090000 Z=0.68810000 -7: X=0.39200000 Y=0.25090000 Z=0.31190000 -7: X=0.60800000 Y=0.74910000 Z=0.68810000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.87690000 Y=0.10380000 Z=0.09380000 MULT= 4 ISPLIT= 8 -8: X=0.12310000 Y=0.89620000 Z=0.90620000 -8: X=0.12310000 Y=0.39620000 Z=0.09380000 -8: X=0.87690000 Y=0.60380000 Z=0.90620000 O NPT= 781 R0=.000100000 RMT= 1.58 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 -9: X=0.78150000 Y=0.38480000 Z=0.09760000 MULT= 4 ISPLIT= 8 -9: X=0.21850000 Y=0.61520000 Z=0.90240000 -9: X=0.21850000 Y=0.11520000 Z=0.09760000 -9: X=0.78150000 Y=0.88480000 Z=0.90240000 O NPT= 781 R0=.000100000 RMT= 1.58 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000