Sr2IrO4 P 12 54 RELA 10.392324 10.392324 48.724782 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.00000000 Z=0.87500000 MULT= 4 ISPLIT= 8 -1: X=0.75000000 Y=0.00000000 Z=0.12500000 -1: X=0.75000000 Y=0.00000000 Z=0.62500000 -1: X=0.25000000 Y=0.00000000 Z=0.37500000 Ir1 NPT= 781 R0=.000005000 RMT= 2.00 Z: 77.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.75000000 Y=0.50000000 Z=0.37500000 MULT= 4 ISPLIT= 8 -2: X=0.25000000 Y=0.50000000 Z=0.62500000 -2: X=0.25000000 Y=0.50000000 Z=0.12500000 -2: X=0.75000000 Y=0.50000000 Z=0.87500000 Ir2 NPT= 781 R0=.000005000 RMT= 2.00 Z: 77.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.25000000 Y=0.00000000 Z=0.05053000 MULT= 4 ISPLIT= 8 -3: X=0.75000000 Y=0.00000000 Z=0.94947000 -3: X=0.75000000 Y=0.00000000 Z=0.44947000 -3: X=0.25000000 Y=0.00000000 Z=0.55053000 Sr1 NPT= 781 R0=.000010000 RMT= 2.29 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=0.75000000 Y=0.50000000 Z=0.55053000 MULT= 4 ISPLIT= 8 -4: X=0.25000000 Y=0.50000000 Z=0.44947000 -4: X=0.25000000 Y=0.50000000 Z=0.94947000 -4: X=0.75000000 Y=0.50000000 Z=0.05053000 Sr2 NPT= 781 R0=.000010000 RMT= 2.29 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 -5: X=0.25000000 Y=0.50000000 Z=0.80053000 MULT= 4 ISPLIT= 8 -5: X=0.75000000 Y=0.50000000 Z=0.19947000 -5: X=0.75000000 Y=0.50000000 Z=0.69947000 -5: X=0.25000000 Y=0.50000000 Z=0.30053000 Sr3 NPT= 781 R0=.000010000 RMT= 2.29 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 -6: X=0.75000000 Y=0.00000000 Z=0.30053000 MULT= 4 ISPLIT= 8 -6: X=0.25000000 Y=0.00000000 Z=0.69947000 -6: X=0.25000000 Y=0.00000000 Z=0.19947000 -6: X=0.75000000 Y=0.00000000 Z=0.80053000 Sr4 NPT= 781 R0=.000010000 RMT= 2.29 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 -7: X=0.25000000 Y=0.00000000 Z=0.95520000 MULT= 4 ISPLIT= 8 -7: X=0.75000000 Y=0.00000000 Z=0.04480000 -7: X=0.75000000 Y=0.00000000 Z=0.54480000 -7: X=0.25000000 Y=0.00000000 Z=0.45520000 O NPT= 781 R0=.000100000 RMT= 1.73 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.75000000 Y=0.50000000 Z=0.45520000 MULT= 4 ISPLIT= 8 -8: X=0.25000000 Y=0.50000000 Z=0.54480000 -8: X=0.25000000 Y=0.50000000 Z=0.04480000 -8: X=0.75000000 Y=0.50000000 Z=0.95520000 O NPT= 781 R0=.000100000 RMT= 1.73 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.25000000 Y=0.50000000 Z=0.70520000 MULT= 4 ISPLIT= 8 -9: X=0.75000000 Y=0.50000000 Z=0.29480000 -9: X=0.75000000 Y=0.50000000 Z=0.79480000 -9: X=0.25000000 Y=0.50000000 Z=0.20520000 O NPT= 781 R0=.000100000 RMT= 1.73 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.75000000 Y=0.00000000 Z=0.20520000 MULT= 4 ISPLIT= 8 -10: X=0.25000000 Y=0.00000000 Z=0.79480000 -10: X=0.25000000 Y=0.00000000 Z=0.29480000 -10: X=0.75000000 Y=0.00000000 Z=0.70520000 O NPT= 781 R0=.000100000 RMT= 1.73 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.94976000 Y=0.30024000 Z=0.12500000 MULT= 8 ISPLIT= 8 -11: X=0.05024000 Y=0.69976000 Z=0.87500000 -11: X=0.55024000 Y=0.69976000 Z=0.12500000 -11: X=0.44976000 Y=0.30024000 Z=0.87500000 -11: X=0.05024000 Y=0.30024000 Z=0.37500000 -11: X=0.94976000 Y=0.69976000 Z=0.62500000 -11: X=0.44976000 Y=0.69976000 Z=0.37500000 -11: X=0.55024000 Y=0.30024000 Z=0.62500000 O NPT= 781 R0=.000100000 RMT= 1.73 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.44976000 Y=0.80024000 Z=0.62500000 MULT= 8 ISPLIT= 8 -12: X=0.55024000 Y=0.19976000 Z=0.37500000 -12: X=0.05024000 Y=0.19976000 Z=0.62500000 -12: X=0.94976000 Y=0.80024000 Z=0.37500000 -12: X=0.55024000 Y=0.80024000 Z=0.87500000 -12: X=0.44976000 Y=0.19976000 Z=0.12500000 -12: X=0.94976000 Y=0.19976000 Z=0.87500000 -12: X=0.05024000 Y=0.80024000 Z=0.12500000 O NPT= 781 R0=.000100000 RMT= 1.73 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 8 NUMBER OF SYMMETRY OPERATIONS 1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 1 1 0 0 0.50000000 0-1 0 0.00000000 0 0-1 0.50000000 2 -1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.50000000 3 -1 0 0 0.50000000 0-1 0 0.00000000 0 0 1 0.00000000 4 -1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 5 -1 0 0 0.50000000 0 1 0 0.00000000 0 0 1 0.50000000 6 1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.50000000 7 1 0 0 0.50000000 0 1 0 0.00000000 0 0-1 0.00000000 8