F LATTICE,NONEQUIV.ATOMS 1 225 Fm-3m MODE OF CALC=RELA unit=bohr 7.090252 7.090252 7.090252 90.000000 90.000000 90.000000 ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 2 Sc NPT= 781 R0=.000050000 RMT= 2.49 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000