R LATTICE,NONEQUIV.ATOMS 1 166 R-3m MODE OF CALC=RELA unit=bohr 8.277757 8.277757 21.690089 90.000000 90.000000120.000000 ATOM -1: X=0.23332000 Y=0.23332000 Z=0.23332000 MULT= 2 ISPLIT= 4 -1: X=0.76668000 Y=0.76668000 Z=0.76668000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000