R LATTICE,NONEQUIV.ATOMS 4 167 R-3c MODE OF CALC=RELA unit=bohr 18.191829 18.191829 21.220113 90.000000 90.000000120.000000 ATOM -1: X=0.61425000 Y=0.88575000 Z=0.25000000 MULT= 6 ISPLIT= 8 -1: X=0.38575000 Y=0.11425000 Z=0.75000000 -1: X=0.88575000 Y=0.25000000 Z=0.61425000 -1: X=0.11425000 Y=0.75000000 Z=0.38575000 -1: X=0.25000000 Y=0.61425000 Z=0.88575000 -1: X=0.75000000 Y=0.38575000 Z=0.11425000 Sr NPT= 781 R0=.000010000 RMT= 2.33 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 4 -2: X=0.75000000 Y=0.75000000 Z=0.75000000 Zn NPT= 781 R0=.000050000 RMT= 2.22 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -3: X=0.50000000 Y=0.50000000 Z=0.50000000 Pt NPT= 781 R0=.000005000 RMT= 2.10 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28660000 Y=0.96070000 Z=0.09320000 MULT=12 ISPLIT= 8 -4: X=0.71340000 Y=0.03930000 Z=0.90680000 -4: X=0.96070000 Y=0.09320000 Z=0.28660000 -4: X=0.03930000 Y=0.90680000 Z=0.71340000 -4: X=0.78660000 Y=0.59320000 Z=0.46070000 -4: X=0.21340000 Y=0.40680000 Z=0.53930000 -4: X=0.09320000 Y=0.28660000 Z=0.96070000 -4: X=0.90680000 Y=0.71340000 Z=0.03930000 -4: X=0.59320000 Y=0.46070000 Z=0.78660000 -4: X=0.40680000 Y=0.53930000 Z=0.21340000 -4: X=0.46070000 Y=0.78660000 Z=0.59320000 -4: X=0.53930000 Y=0.21340000 Z=0.40680000 O NPT= 781 R0=.000100000 RMT= 1.71 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000