CXZ LATTICE,NONEQUIV.ATOMS 10 15 B2/b MODE OF CALC=RELA unit=bohr 24.109126 26.201053 15.276168 90.000000 90.000000 67.510000 ATOM -1: X=0.92019000 Y=0.09076000 Z=0.13183000 MULT= 4 ISPLIT= 8 -1: X=0.07981000 Y=0.90924000 Z=0.86817000 -1: X=0.07981000 Y=0.40924000 Z=0.13183000 -1: X=0.92019000 Y=0.59076000 Z=0.86817000 W NPT= 781 R0=.000005000 RMT= 1.76 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.83685000 Y=0.38557000 Z=0.34948000 MULT= 4 ISPLIT= 8 -2: X=0.16315000 Y=0.61443000 Z=0.65052000 -2: X=0.16315000 Y=0.11443000 Z=0.34948000 -2: X=0.83685000 Y=0.88557000 Z=0.65052000 Sn NPT= 781 R0=.000010000 RMT= 2.12 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 -3: X=0.65849000 Y=0.12620000 Z=0.43402000 MULT= 4 ISPLIT= 8 -3: X=0.34151000 Y=0.87380000 Z=0.56598000 -3: X=0.34151000 Y=0.37380000 Z=0.43402000 -3: X=0.65849000 Y=0.62620000 Z=0.56598000 Sn NPT= 781 R0=.000010000 RMT= 2.12 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 -4: X=0.57806000 Y=0.38356000 Z=0.12610000 MULT= 4 ISPLIT= 8 -4: X=0.42194000 Y=0.61644000 Z=0.87390000 -4: X=0.42194000 Y=0.11644000 Z=0.12610000 -4: X=0.57806000 Y=0.88356000 Z=0.87390000 Sn NPT= 781 R0=.000010000 RMT= 2.12 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=0.95830000 Y=0.04320000 Z=0.35480000 MULT= 4 ISPLIT= 8 -5: X=0.04170000 Y=0.95680000 Z=0.64520000 -5: X=0.04170000 Y=0.45680000 Z=0.35480000 -5: X=0.95830000 Y=0.54320000 Z=0.64520000 O NPT= 781 R0=.000100000 RMT= 1.51 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=0.93870000 Y=0.37940000 Z=0.14120000 MULT= 4 ISPLIT= 8 -6: X=0.06130000 Y=0.62060000 Z=0.85880000 -6: X=0.06130000 Y=0.12060000 Z=0.14120000 -6: X=0.93870000 Y=0.87940000 Z=0.85880000 O NPT= 781 R0=.000100000 RMT= 1.51 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=0.81500000 Y=0.03170000 Z=0.11440000 MULT= 4 ISPLIT= 8 -7: X=0.18500000 Y=0.96830000 Z=0.88560000 -7: X=0.18500000 Y=0.46830000 Z=0.11440000 -7: X=0.81500000 Y=0.53170000 Z=0.88560000 O NPT= 781 R0=.000100000 RMT= 1.51 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=0.95340000 Y=0.57830000 Z=0.09830000 MULT= 4 ISPLIT= 8 -8: X=0.04660000 Y=0.42170000 Z=0.90170000 -8: X=0.04660000 Y=0.92170000 Z=0.09830000 -8: X=0.95340000 Y=0.07830000 Z=0.90170000 O NPT= 781 R0=.000100000 RMT= 1.51 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=0.82740000 Y=0.21980000 Z=0.15880000 MULT= 4 ISPLIT= 8 -9: X=0.17260000 Y=0.78020000 Z=0.84120000 -9: X=0.17260000 Y=0.28020000 Z=0.15880000 -9: X=0.82740000 Y=0.71980000 Z=0.84120000 O NPT= 781 R0=.000100000 RMT= 1.51 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 -10: X=0.71110000 Y=0.44020000 Z=0.13900000 MULT= 4 ISPLIT= 8 -10: X=0.28890000 Y=0.55980000 Z=0.86100000 -10: X=0.28890000 Y=0.05980000 Z=0.13900000 -10: X=0.71110000 Y=0.94020000 Z=0.86100000 O NPT= 781 R0=.000100000 RMT= 1.51 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000