R LATTICE,NONEQUIV.ATOMS 2 160 R3m MODE OF CALC=RELA unit=bohr 4.724315 4.724315 16.478411 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 B NPT= 781 R0=.000100000 RMT= 1.29 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33243000 Y=0.33243000 Z=0.33243000 MULT= 1 ISPLIT= 4 N NPT= 781 R0=.000100000 RMT= 1.42 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000