P LATTICE,NONEQUIV.ATOMS 11 62 Pnma MODE OF CALC=RELA unit=bohr 24.112905 18.564670 20.218180 90.000000 90.000000 90.000000 ATOM -1: X=0.31467000 Y=0.25000000 Z=0.49226000 MULT= 4 ISPLIT= 8 -1: X=0.68533000 Y=0.75000000 Z=0.50774000 -1: X=0.81467000 Y=0.25000000 Z=0.00774000 -1: X=0.18533000 Y=0.75000000 Z=0.99226000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.67274000 Y=0.25000000 Z=0.59800000 MULT= 4 ISPLIT= 8 -2: X=0.32726000 Y=0.75000000 Z=0.40200000 -2: X=0.17274000 Y=0.25000000 Z=0.90200000 -2: X=0.82726000 Y=0.75000000 Z=0.09800000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.03050000 Y=0.07590000 Z=0.15080000 MULT= 8 ISPLIT= 8 -3: X=0.96950000 Y=0.92410000 Z=0.84920000 -3: X=0.53050000 Y=0.07590000 Z=0.34920000 -3: X=0.46950000 Y=0.92410000 Z=0.65080000 -3: X=0.46950000 Y=0.57590000 Z=0.65080000 -3: X=0.53050000 Y=0.42410000 Z=0.34920000 -3: X=0.96950000 Y=0.57590000 Z=0.84920000 -3: X=0.03050000 Y=0.42410000 Z=0.15080000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.06780000 Y=0.58330000 Z=0.29080000 MULT= 8 ISPLIT= 8 -4: X=0.93220000 Y=0.41670000 Z=0.70920000 -4: X=0.56780000 Y=0.58330000 Z=0.20920000 -4: X=0.43220000 Y=0.41670000 Z=0.79080000 -4: X=0.43220000 Y=0.08330000 Z=0.79080000 -4: X=0.56780000 Y=0.91670000 Z=0.20920000 -4: X=0.93220000 Y=0.08330000 Z=0.70920000 -4: X=0.06780000 Y=0.91670000 Z=0.29080000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.07490000 Y=0.07930000 Z=0.58150000 MULT= 8 ISPLIT= 8 -5: X=0.92510000 Y=0.92070000 Z=0.41850000 -5: X=0.57490000 Y=0.07930000 Z=0.91850000 -5: X=0.42510000 Y=0.92070000 Z=0.08150000 -5: X=0.42510000 Y=0.57930000 Z=0.08150000 -5: X=0.57490000 Y=0.42070000 Z=0.91850000 -5: X=0.92510000 Y=0.57930000 Z=0.41850000 -5: X=0.07490000 Y=0.42070000 Z=0.58150000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.32030000 Y=0.07620000 Z=0.16570000 MULT= 8 ISPLIT= 8 -6: X=0.67970000 Y=0.92380000 Z=0.83430000 -6: X=0.82030000 Y=0.07620000 Z=0.33430000 -6: X=0.17970000 Y=0.92380000 Z=0.66570000 -6: X=0.17970000 Y=0.57620000 Z=0.66570000 -6: X=0.82030000 Y=0.42380000 Z=0.33430000 -6: X=0.67970000 Y=0.57620000 Z=0.83430000 -6: X=0.32030000 Y=0.42380000 Z=0.16570000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.36060000 Y=0.04280000 Z=0.36180000 MULT= 8 ISPLIT= 8 -7: X=0.63940000 Y=0.95720000 Z=0.63820000 -7: X=0.86060000 Y=0.04280000 Z=0.13820000 -7: X=0.13940000 Y=0.95720000 Z=0.86180000 -7: X=0.13940000 Y=0.54280000 Z=0.86180000 -7: X=0.86060000 Y=0.45720000 Z=0.13820000 -7: X=0.63940000 Y=0.54280000 Z=0.63820000 -7: X=0.36060000 Y=0.45720000 Z=0.36180000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.05610000 Y=0.25000000 Z=0.27690000 MULT= 4 ISPLIT= 8 -8: X=0.94390000 Y=0.75000000 Z=0.72310000 -8: X=0.55610000 Y=0.25000000 Z=0.22310000 -8: X=0.44390000 Y=0.75000000 Z=0.77690000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.17020000 Y=0.25000000 Z=0.65060000 MULT= 4 ISPLIT= 8 -9: X=0.82980000 Y=0.75000000 Z=0.34940000 -9: X=0.67020000 Y=0.25000000 Z=0.84940000 -9: X=0.32980000 Y=0.75000000 Z=0.15060000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -10: X=0.41450000 Y=0.25000000 Z=0.09900000 MULT= 4 ISPLIT= 8 -10: X=0.58550000 Y=0.75000000 Z=0.90100000 -10: X=0.91450000 Y=0.25000000 Z=0.40100000 -10: X=0.08550000 Y=0.75000000 Z=0.59900000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -11: X=0.47010000 Y=0.25000000 Z=0.66120000 MULT= 4 ISPLIT= 8 -11: X=0.52990000 Y=0.75000000 Z=0.33880000 -11: X=0.97010000 Y=0.25000000 Z=0.83880000 -11: X=0.02990000 Y=0.75000000 Z=0.16120000 P NPT= 781 R0=.000100000 RMT= 2.00 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000