H LATTICE,NONEQUIV.ATOMS 7 150 P321 MODE OF CALC=RELA unit=bohr 15.883148 15.883148 9.469796 90.000000 90.000000120.000000 ATOM -1: X=0.59430000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -1: X=0.00000000 Y=0.59430000 Z=0.00000000 -1: X=0.40570000 Y=0.40570000 Z=0.00000000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.33333333 Y=0.66666667 Z=0.51280000 MULT= 2 ISPLIT= 4 -2: X=0.66666667 Y=0.33333333 Z=0.48720000 Ga NPT= 781 R0=.000050000 RMT= 1.67 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 -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 Ge NPT= 781 R0=.000050000 RMT= 1.77 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=0.24060000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT= 8 -4: X=0.00000000 Y=0.24060000 Z=0.50000000 -4: X=0.75940000 Y=0.75940000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 1.77 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.33333333 Y=0.66666667 Z=0.17400000 MULT= 2 ISPLIT= 4 -5: X=0.66666667 Y=0.33333333 Z=0.82600000 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=0.45300000 Y=0.16800000 Z=0.34500000 MULT= 6 ISPLIT= 8 -6: X=0.83200000 Y=0.28500000 Z=0.34500000 -6: X=0.16800000 Y=0.45300000 Z=0.65500000 -6: X=0.71500000 Y=0.54700000 Z=0.34500000 -6: X=0.54700000 Y=0.71500000 Z=0.65500000 -6: X=0.28500000 Y=0.83200000 Z=0.65500000 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=0.11900000 Y=0.20700000 Z=0.22700000 MULT= 6 ISPLIT= 8 -7: X=0.79300000 Y=0.91200000 Z=0.22700000 -7: X=0.20700000 Y=0.11900000 Z=0.77300000 -7: X=0.08800000 Y=0.88100000 Z=0.22700000 -7: X=0.88100000 Y=0.08800000 Z=0.77300000 -7: X=0.91200000 Y=0.79300000 Z=0.77300000 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