SrFeAsF P LATTICE,NONEQUIV.ATOMS: 4 129 P4/nmm MODE OF CALC=RELA unit=ang 7.322125 7.322125 16.216124 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.75000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -1: X=0.75000000 Y=0.25000000 Z=0.00000000 Fe1 NPT= 781 R0=0.00010000 RMT= 2.38 Z: 26.0 LOCAL ROT MATRIX: 0.7071068-0.7071068 0.0000000 0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.75000000 Y=0.75000000 Z=0.16370000 MULT= 2 ISPLIT=-2 -2: X=0.25000000 Y=0.25000000 Z=0.83630000 As1 NPT= 781 R0=0.00010000 RMT= 2.11 Z: 33.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.75000000 Y=0.75000000 Z=0.65220000 MULT= 2 ISPLIT=-2 -3: X=0.25000000 Y=0.25000000 Z=0.34780000 Ca1 NPT= 781 R0=0.00010000 RMT= 2.19 Z: 20.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.25000000 Y=0.75000000 Z=0.50000000 MULT= 2 ISPLIT=-2 -4: X=0.75000000 Y=0.25000000 Z=0.50000000 F 1 NPT= 781 R0=0.00010000 RMT= 2.19 Z: 9.0 LOCAL ROT MATRIX: 0.7071068-0.7071068 0.0000000 0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 16 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 0.50000000 0 0 1 0.00000000 2 0-1 0 0.50000000 1 0 0 0.00000000 0 0 1 0.00000000 3 0 1 0 0.00000000 -1 0 0 0.50000000 0 0 1 0.00000000 4 -1 0 0 0.00000000 0 1 0 0.50000000 0 0-1 0.00000000 5 1 0 0 0.50000000 0-1 0 0.00000000 0 0-1 0.00000000 6 0 1 0 0.50000000 1 0 0 0.50000000 0 0-1 0.00000000 7 0-1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 8 -1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 9 1 0 0 0.50000000 0 1 0 0.50000000 0 0-1 0.00000000 10 0 1 0 0.50000000 -1 0 0 0.00000000 0 0-1 0.00000000 11 0-1 0 0.00000000 1 0 0 0.50000000 0 0-1 0.00000000 12 1 0 0 0.00000000 0-1 0 0.50000000 0 0 1 0.00000000 13 -1 0 0 0.50000000 0 1 0 0.00000000 0 0 1 0.00000000 14 0-1 0 0.50000000 -1 0 0 0.50000000 0 0 1 0.00000000 15 0 1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 16