F LATTICE,NONEQUIV.ATOMS 1 227 Fd-3m MODE OF CALC=RELA unit=bohr 11.413946 11.413946 11.413946 90.000000 90.000000 90.000000 ATOM 1: X=0.12500000 Y=0.12500000 Z=0.12500000 MULT= 2 ISPLIT= 2 1: X=0.87500000 Y=0.87500000 Z=0.87500000 Se NPT= 781 R0=.000050000 RMT= 2.46 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000