P LATTICE,NONEQUIV.ATOMS 2 92 P41212 MODE OF CALC=RELA unit=bohr 9.429733 9.429733 13.341467 90.000000 90.000000 90.000000 ATOM -1: X=0.17200000 Y=0.17200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.32800000 Y=0.67200000 Z=0.25000000 -1: X=0.67200000 Y=0.32800000 Z=0.75000000 -1: X=0.82800000 Y=0.82800000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 1.73 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.24500000 Y=0.33400000 Z=0.21500000 MULT= 8 ISPLIT= 8 -2: X=0.16600000 Y=0.74500000 Z=0.46500000 -2: X=0.74500000 Y=0.16600000 Z=0.53500000 -2: X=0.75500000 Y=0.66600000 Z=0.71500000 -2: X=0.33400000 Y=0.24500000 Z=0.78500000 -2: X=0.83400000 Y=0.25500000 Z=0.96500000 -2: X=0.25500000 Y=0.83400000 Z=0.03500000 -2: X=0.66600000 Y=0.75500000 Z=0.28500000 O NPT= 781 R0=.000100000 RMT= 1.57 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000