P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 9.941471 14.033673 9.848119 90.000000 90.000000 90.000000 ATOM -1: X=0.03180000 Y=0.25000000 Z=0.49280000 MULT= 4 ISPLIT= 8 -1: X=0.96820000 Y=0.75000000 Z=0.50720000 -1: X=0.53180000 Y=0.25000000 Z=0.00720000 -1: X=0.46820000 Y=0.75000000 Z=0.99280000 Cd NPT= 781 R0=.000010000 RMT= 2.23 Z: 48.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.50000000 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 -2: X=0.00000000 Y=0.50000000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 1.87 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=0.47650000 Y=0.25000000 Z=0.58780000 MULT= 4 ISPLIT= 8 -3: X=0.52350000 Y=0.75000000 Z=0.41220000 -3: X=0.97650000 Y=0.25000000 Z=0.91220000 -3: X=0.02350000 Y=0.75000000 Z=0.08780000 O NPT= 781 R0=.000100000 RMT= 1.70 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.29020000 Y=0.04670000 Z=0.20690000 MULT= 8 ISPLIT= 8 -4: X=0.70980000 Y=0.95330000 Z=0.79310000 -4: X=0.79020000 Y=0.04670000 Z=0.29310000 -4: X=0.20980000 Y=0.95330000 Z=0.70690000 -4: X=0.20980000 Y=0.54670000 Z=0.70690000 -4: X=0.79020000 Y=0.45330000 Z=0.29310000 -4: X=0.70980000 Y=0.54670000 Z=0.79310000 -4: X=0.29020000 Y=0.45330000 Z=0.20690000 O NPT= 781 R0=.000100000 RMT= 1.70 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000