B LATTICE,NONEQUIV.ATOMS 4 74 Imma MODE OF CALC=RELA unit=bohr 13.689176 18.780098 10.898051 90.000000 90.000000 90.000000 ATOM -1: X=0.20250000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.79750000 Y=0.00000000 Z=0.00000000 -1: X=0.20250000 Y=0.50000000 Z=0.00000000 -1: X=0.79750000 Y=0.50000000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 1.84 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.25000000 Y=0.75000000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 1.84 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.07930000 Z=0.31270000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.92070000 Z=0.68730000 -3: X=0.00000000 Y=0.57930000 Z=0.68730000 -3: X=0.00000000 Y=0.42070000 Z=0.31270000 Ge NPT= 781 R0=.000050000 RMT= 1.77 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.25000000 Z=0.21300000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.75000000 Z=0.78700000 Na NPT= 781 R0=.000100000 RMT= 1.58 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000