R LATTICE,NONEQUIV.ATOMS 4 167 R-3c MODE OF CALC=RELA unit=bohr 18.223007 18.223007 20.997122 90.000000 90.000000120.000000 ATOM -1: X=0.61540000 Y=0.88460000 Z=0.25000000 MULT= 6 ISPLIT= 8 -1: X=0.38460000 Y=0.11540000 Z=0.75000000 -1: X=0.88460000 Y=0.25000000 Z=0.61540000 -1: X=0.11540000 Y=0.75000000 Z=0.38460000 -1: X=0.25000000 Y=0.61540000 Z=0.88460000 -1: X=0.75000000 Y=0.38460000 Z=0.11540000 Sr NPT= 781 R0=.000010000 RMT= 2.32 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 Mg NPT= 781 R0=.000100000 RMT= 2.04 Z: 12.00000 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=0.28870000 Y=0.96360000 Z=0.09300000 MULT=12 ISPLIT= 8 -4: X=0.71130000 Y=0.03640000 Z=0.90700000 -4: X=0.96360000 Y=0.09300000 Z=0.28870000 -4: X=0.03640000 Y=0.90700000 Z=0.71130000 -4: X=0.78870000 Y=0.59300000 Z=0.46360000 -4: X=0.21130000 Y=0.40700000 Z=0.53640000 -4: X=0.09300000 Y=0.28870000 Z=0.96360000 -4: X=0.90700000 Y=0.71130000 Z=0.03640000 -4: X=0.59300000 Y=0.46360000 Z=0.78870000 -4: X=0.40700000 Y=0.53640000 Z=0.21130000 -4: X=0.46360000 Y=0.78870000 Z=0.59300000 -4: X=0.53640000 Y=0.21130000 Z=0.40700000 O NPT= 781 R0=.000100000 RMT= 1.72 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000