P LATTICE,NONEQUIV.ATOMS 6 114 P-421c MODE OF CALC=RELA unit=bohr 24.687382 24.687382 11.924172 90.000000 90.000000 90.000000 ATOM -1: X=0.31184000 Y=0.00560000 Z=0.40684000 MULT= 8 ISPLIT= 8 -1: X=0.00560000 Y=0.68816000 Z=0.59316000 -1: X=0.81184000 Y=0.49440000 Z=0.09316000 -1: X=0.68816000 Y=0.99440000 Z=0.40684000 -1: X=0.49440000 Y=0.18816000 Z=0.90684000 -1: X=0.99440000 Y=0.31184000 Z=0.59316000 -1: X=0.18816000 Y=0.50560000 Z=0.09316000 -1: X=0.50560000 Y=0.81184000 Z=0.90684000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 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= 2 ISPLIT=-2 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.18 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 -3: X=0.01550000 Y=0.35927000 Z=0.04030000 MULT= 8 ISPLIT= 8 -3: X=0.35927000 Y=0.98450000 Z=0.95970000 -3: X=0.51550000 Y=0.14073000 Z=0.45970000 -3: X=0.98450000 Y=0.64073000 Z=0.04030000 -3: X=0.14073000 Y=0.48450000 Z=0.54030000 -3: X=0.64073000 Y=0.01550000 Z=0.95970000 -3: X=0.48450000 Y=0.85927000 Z=0.45970000 -3: X=0.85927000 Y=0.51550000 Z=0.54030000 Se NPT= 781 R0=.000050000 RMT= 2.18 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.09480000 Y=0.09180000 Z=0.24630000 MULT= 8 ISPLIT= 8 -4: X=0.09180000 Y=0.90520000 Z=0.75370000 -4: X=0.59480000 Y=0.40820000 Z=0.25370000 -4: X=0.90520000 Y=0.90820000 Z=0.24630000 -4: X=0.40820000 Y=0.40520000 Z=0.74630000 -4: X=0.90820000 Y=0.09480000 Z=0.75370000 -4: X=0.40520000 Y=0.59180000 Z=0.25370000 -4: X=0.59180000 Y=0.59480000 Z=0.74630000 Se NPT= 781 R0=.000050000 RMT= 2.18 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.30170000 Y=0.30820000 Z=0.19400000 MULT= 8 ISPLIT= 8 -5: X=0.30820000 Y=0.69830000 Z=0.80600000 -5: X=0.80170000 Y=0.19180000 Z=0.30600000 -5: X=0.69830000 Y=0.69180000 Z=0.19400000 -5: X=0.19180000 Y=0.19830000 Z=0.69400000 -5: X=0.69180000 Y=0.30170000 Z=0.80600000 -5: X=0.19830000 Y=0.80820000 Z=0.30600000 -5: X=0.80820000 Y=0.80170000 Z=0.69400000 Se NPT= 781 R0=.000050000 RMT= 2.18 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.14927000 Y=0.23420000 Z=0.05210000 MULT= 8 ISPLIT= 8 -6: X=0.23420000 Y=0.85073000 Z=0.94790000 -6: X=0.64927000 Y=0.26580000 Z=0.44790000 -6: X=0.85073000 Y=0.76580000 Z=0.05210000 -6: X=0.26580000 Y=0.35073000 Z=0.55210000 -6: X=0.76580000 Y=0.14927000 Z=0.94790000 -6: X=0.35073000 Y=0.73420000 Z=0.44790000 -6: X=0.73420000 Y=0.64927000 Z=0.55210000 Ga NPT= 781 R0=.000050000 RMT= 2.20 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000