F LATTICE,NONEQUIV.ATOMS 3 226 Fm-3c MODE OF CALC=RELA unit=bohr 23.126468 23.126468 23.126468 90.000000 90.000000 90.000000 ATOM 1: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 2 1: X=0.75000000 Y=0.75000000 Z=0.75000000 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 2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 2 2: X=0.00000000 Y=0.00000000 Z=0.50000000 Zn NPT= 781 R0=.000050000 RMT= 2.41 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=0.11900000 Z=0.18100000 MULT=24 ISPLIT= 8 -3: X=0.00000000 Y=0.88100000 Z=0.81900000 -3: X=0.88100000 Y=0.00000000 Z=0.68100000 -3: X=0.11900000 Y=0.00000000 Z=0.31900000 -3: X=0.18100000 Y=0.00000000 Z=0.11900000 -3: X=0.81900000 Y=0.00000000 Z=0.88100000 -3: X=0.00000000 Y=0.88100000 Z=0.18100000 -3: X=0.00000000 Y=0.11900000 Z=0.81900000 -3: X=0.00000000 Y=0.18100000 Z=0.61900000 -3: X=0.00000000 Y=0.81900000 Z=0.38100000 -3: X=0.11900000 Y=0.00000000 Z=0.68100000 -3: X=0.88100000 Y=0.00000000 Z=0.31900000 -3: X=0.81900000 Y=0.00000000 Z=0.11900000 -3: X=0.18100000 Y=0.00000000 Z=0.88100000 -3: X=0.00000000 Y=0.81900000 Z=0.61900000 -3: X=0.00000000 Y=0.18100000 Z=0.38100000 -3: X=0.18100000 Y=0.88100000 Z=0.50000000 -3: X=0.81900000 Y=0.11900000 Z=0.50000000 -3: X=0.11900000 Y=0.18100000 Z=0.00000000 -3: X=0.88100000 Y=0.81900000 Z=0.00000000 -3: X=0.18100000 Y=0.11900000 Z=0.50000000 -3: X=0.81900000 Y=0.88100000 Z=0.50000000 -3: X=0.88100000 Y=0.18100000 Z=0.00000000 -3: X=0.11900000 Y=0.81900000 Z=0.00000000 Zn NPT= 781 R0=.000050000 RMT= 2.41 Z: 30.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000