R LATTICE,NONEQUIV.ATOMS 4 166 R-3m MODE OF CALC=RELA unit=bohr 13.114700 13.114700 62.379858 90.000000 90.000000120.000000 ATOM -1: X=0.79733000 Y=0.27951000 Z=0.79733000 MULT= 6 ISPLIT= 8 -1: X=0.20267000 Y=0.72049000 Z=0.20267000 -1: X=0.27951000 Y=0.79733000 Z=0.79733000 -1: X=0.72049000 Y=0.20267000 Z=0.20267000 -1: X=0.79733000 Y=0.79733000 Z=0.27951000 -1: X=0.20267000 Y=0.20267000 Z=0.72049000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.60132000 Y=0.16522000 Z=0.60132000 MULT= 6 ISPLIT= 8 -2: X=0.39868000 Y=0.83478000 Z=0.39868000 -2: X=0.16522000 Y=0.60132000 Z=0.60132000 -2: X=0.83478000 Y=0.39868000 Z=0.39868000 -2: X=0.60132000 Y=0.60132000 Z=0.16522000 -2: X=0.39868000 Y=0.39868000 Z=0.83478000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.29035000 Y=0.29035000 Z=0.29035000 MULT= 2 ISPLIT= 4 -3: X=0.70965000 Y=0.70965000 Z=0.70965000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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 -4: X=0.13138000 Y=0.13138000 Z=0.13138000 MULT= 2 ISPLIT= 4 -4: X=0.86862000 Y=0.86862000 Z=0.86862000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000