F LATTICE,NONEQUIV.ATOMS 1 70 Fddd MODE OF CALC=RELA unit=bohr 7.512228 23.067887 38.087052 90.000000 90.000000 90.000000 ATOM -1: X=0.12500000 Y=0.12500000 Z=0.29133000 MULT= 4 ISPLIT= 8 -1: X=0.87500000 Y=0.87500000 Z=0.70867000 -1: X=0.87500000 Y=0.37500000 Z=0.54133000 -1: X=0.12500000 Y=0.12500000 Z=0.95867000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000