P LATTICE,NONEQUIV.ATOMS 2 58 Pnnm MODE OF CALC=RELA unit=bohr 7.202691 20.857096 6.317165 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 Pd NPT= 781 R0=.000010000 RMT= 2.32 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33730000 Y=0.36801000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.66270000 Y=0.63199000 Z=0.00000000 -2: X=0.16270000 Y=0.86801000 Z=0.50000000 -2: X=0.83730000 Y=0.13199000 Z=0.50000000 Cl NPT= 781 R0=.000100000 RMT= 2.00 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000