P LATTICE,NONEQUIV.ATOMS 4 215 P-43m MODE OF CALC=RELA unit=bohr 11.149762 11.149762 11.149762 90.000000 90.000000 90.000000 ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 2 Zn NPT= 781 R0=.000050000 RMT= 2.03 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM 2: X=0.50000000 Y=0.50000000 Z=0.50000000 MULT= 1 ISPLIT= 2 Zn NPT= 781 R0=.000050000 RMT= 2.03 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.18820000 Y=0.18820000 Z=0.18820000 MULT= 4 ISPLIT= 4 -3: X=0.18820000 Y=0.81180000 Z=0.81180000 -3: X=0.81180000 Y=0.81180000 Z=0.18820000 -3: X=0.81180000 Y=0.18820000 Z=0.81180000 C NPT= 781 R0=.000100000 RMT= 1.05 Z: 6.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -4: X=0.30070000 Y=0.30070000 Z=0.30070000 MULT= 4 ISPLIT= 4 -4: X=0.30070000 Y=0.69930000 Z=0.69930000 -4: X=0.69930000 Y=0.69930000 Z=0.30070000 -4: X=0.69930000 Y=0.30070000 Z=0.69930000 N NPT= 781 R0=.000100000 RMT= 1.11 Z: 7.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503