H LATTICE,NONEQUIV.ATOMS 7 150 P321 MODE OF CALC=RELA unit=bohr 15.622366 15.622366 9.757223 90.000000 90.000000120.000000 ATOM -1: X=0.57270000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT=15 -1: X=0.00000000 Y=0.57270000 Z=0.00000000 -1: X=0.42730000 Y=0.42730000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 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=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=15 Sn NPT= 781 R0=.000010000 RMT= 2.00000 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=0.24200000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT=15 -3: X=0.00000000 Y=0.24200000 Z=0.50000000 -3: X=0.75800000 Y=0.75800000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 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 -4: X=0.33333333 Y=0.66666667 Z=0.53220000 MULT= 2 ISPLIT=15 -4: X=0.66666667 Y=0.33333333 Z=0.46780000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 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 -5: X=0.33333333 Y=0.66666667 Z=0.17500000 MULT= 2 ISPLIT=15 -5: X=0.66666667 Y=0.33333333 Z=0.82500000 O NPT= 781 R0=.000100000 RMT= 2.00000 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=0.45700000 Y=0.14100000 Z=0.31100000 MULT= 6 ISPLIT=15 -6: X=0.85900000 Y=0.31600000 Z=0.31100000 -6: X=0.14100000 Y=0.45700000 Z=0.68900000 -6: X=0.68400000 Y=0.54300000 Z=0.31100000 -6: X=0.54300000 Y=0.68400000 Z=0.68900000 -6: X=0.31600000 Y=0.85900000 Z=0.68900000 O NPT= 781 R0=.000100000 RMT= 2.00000 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=0.14600000 Y=0.22700000 Z=0.25100000 MULT= 6 ISPLIT=15 -7: X=0.77300000 Y=0.91900000 Z=0.25100000 -7: X=0.22700000 Y=0.14600000 Z=0.74900000 -7: X=0.08100000 Y=0.85400000 Z=0.25100000 -7: X=0.85400000 Y=0.08100000 Z=0.74900000 -7: X=0.91900000 Y=0.77300000 Z=0.74900000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000