R LATTICE,NONEQUIV.ATOMS 2 166 R-3m MODE OF CALC=RELA unit=bohr 7.109528 7.109528 37.017847 90.000000 90.000000120.000000 ATOM -1: X=0.26390000 Y=0.26390000 Z=0.26390000 MULT= 2 ISPLIT= 4 -1: X=0.73610000 Y=0.73610000 Z=0.73610000 Sr NPT= 781 R0=.000010000 RMT= 2.47 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 N NPT= 781 R0=.000100000 RMT= 2.35 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000