CXZ LATTICE,NONEQUIV.ATOMS 18 5 B2 MODE OF CALC=RELA unit=bohr 34.119572 24.126134 12.712188 90.000000 90.000000 45.000000 ATOM -1: X=0.63200000 Y=0.12130000 Z=0.61960000 MULT= 2 ISPLIT= 8 -1: X=0.36800000 Y=0.87870000 Z=0.61960000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.75310000 Y=0.61480000 Z=0.37060000 MULT= 2 ISPLIT= 8 -2: X=0.24690000 Y=0.38520000 Z=0.37060000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 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=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Ge NPT= 781 R0=.000050000 RMT= 1.72 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 -4: X=0.00000000 Y=0.50000000 Z=0.75080000 MULT= 1 ISPLIT= 8 Ge NPT= 781 R0=.000050000 RMT= 1.72 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 -5: X=0.56140000 Y=0.07270000 Z=0.12140000 MULT= 2 ISPLIT= 8 -5: X=0.43860000 Y=0.92730000 Z=0.12140000 Ge NPT= 781 R0=.000050000 RMT= 1.72 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=0.62490000 Y=0.45360000 Z=0.37220000 MULT= 2 ISPLIT= 8 -6: X=0.37510000 Y=0.54640000 Z=0.37220000 Ge NPT= 781 R0=.000050000 RMT= 1.72 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=0.86580000 Y=0.19540000 Z=0.37640000 MULT= 2 ISPLIT= 8 -7: X=0.13420000 Y=0.80460000 Z=0.37640000 Ga NPT= 781 R0=.000050000 RMT= 1.76 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.57860000 Y=0.29640000 Z=0.12660000 MULT= 2 ISPLIT= 8 -8: X=0.42140000 Y=0.70360000 Z=0.12660000 Ga NPT= 781 R0=.000050000 RMT= 1.76 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.88330000 Y=0.11820000 Z=0.13800000 MULT= 2 ISPLIT= 8 -9: X=0.11670000 Y=0.88180000 Z=0.13800000 O NPT= 781 R0=.000100000 RMT= 1.56 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=0.50360000 Y=0.11190000 Z=0.35800000 MULT= 2 ISPLIT= 8 -10: X=0.49640000 Y=0.88810000 Z=0.35800000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -11: X=0.85660000 Y=0.11780000 Z=0.58700000 MULT= 2 ISPLIT= 8 -11: X=0.14340000 Y=0.88220000 Z=0.58700000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -12: X=0.97430000 Y=0.17300000 Z=0.42300000 MULT= 2 ISPLIT= 8 -12: X=0.02570000 Y=0.82700000 Z=0.42300000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -13: X=0.74860000 Y=0.38950000 Z=0.38600000 MULT= 2 ISPLIT= 8 -13: X=0.25140000 Y=0.61050000 Z=0.38600000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -14: X=0.63880000 Y=0.10870000 Z=0.13100000 MULT= 2 ISPLIT= 8 -14: X=0.36120000 Y=0.89130000 Z=0.13100000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -15: X=0.90280000 Y=0.66080000 Z=0.38900000 MULT= 2 ISPLIT= 8 -15: X=0.09720000 Y=0.33920000 Z=0.38900000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -16: X=0.93560000 Y=0.46850000 Z=0.10600000 MULT= 2 ISPLIT= 8 -16: X=0.06440000 Y=0.53150000 Z=0.10600000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -17: X=0.44190000 Y=0.41570000 Z=0.18100000 MULT= 2 ISPLIT= 8 -17: X=0.55810000 Y=0.58430000 Z=0.18100000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -18: X=0.63730000 Y=0.30590000 Z=0.33300000 MULT= 2 ISPLIT= 8 -18: X=0.36270000 Y=0.69410000 Z=0.33300000 O NPT= 781 R0=.000100000 RMT= 1.56 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000