CXY LATTICE,NONEQUIV.ATOMS 15 36 Cmc21 MODE OF CALC=RELA unit=bohr 7.897166 34.710490 28.440378 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.01643000 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.98357000 Z=0.50000000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.17449000 Z=0.55630000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.82551000 Z=0.05630000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 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=0.16654000 Z=0.19660000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.83346000 Z=0.69660000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 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=0.03206000 Z=0.73622000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.96794000 Z=0.23622000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 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=0.23000000 Z=0.73280000 MULT= 2 ISPLIT=15 -5: X=0.00000000 Y=0.77000000 Z=0.23280000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.00000000 Y=0.43130000 Z=0.09250000 MULT= 2 ISPLIT=15 -6: X=0.00000000 Y=0.56870000 Z=0.59250000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.00000000 Y=0.22460000 Z=0.01630000 MULT= 2 ISPLIT=15 -7: X=0.00000000 Y=0.77540000 Z=0.51630000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.00000000 Y=0.55980000 Z=0.14580000 MULT= 2 ISPLIT=15 -8: X=0.00000000 Y=0.44020000 Z=0.64580000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.00000000 Y=0.43390000 Z=0.37150000 MULT= 2 ISPLIT=15 -9: X=0.00000000 Y=0.56610000 Z=0.87150000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.00000000 Y=0.11250000 Z=0.38280000 MULT= 2 ISPLIT=15 -10: X=0.00000000 Y=0.88750000 Z=0.88280000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.00000000 Y=0.34430000 Z=0.22860000 MULT= 2 ISPLIT=15 -11: X=0.00000000 Y=0.65570000 Z=0.72860000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.00000000 Y=0.69940000 Z=0.37660000 MULT= 2 ISPLIT=15 -12: X=0.00000000 Y=0.30060000 Z=0.87660000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.00000000 Y=0.34900000 Z=0.51900000 MULT= 2 ISPLIT=15 -13: X=0.00000000 Y=0.65100000 Z=0.01900000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.00000000 Y=0.15210000 Z=0.87370000 MULT= 2 ISPLIT=15 -14: X=0.00000000 Y=0.84790000 Z=0.37370000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.00000000 Y=0.56490000 Z=0.31580000 MULT= 2 ISPLIT=15 -15: X=0.00000000 Y=0.43510000 Z=0.81580000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000