NaFeAs P LATTICE,NONEQUIV.ATOMS: 3 129 P4/nmm MODE OF CALC=RELA unit=ang 7.459300 7.459300 13.211307 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= 2.42 Z: 26.0 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=0.75000000 Z=0.79766000 MULT= 2 ISPLIT=-2 2: X=0.25000000 Y=0.25000000 Z=0.20234000 As1 NPT= 781 R0=0.00010000 RMT= 2.14 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=0.35327000 MULT= 2 ISPLIT=-2 3: X=0.25000000 Y=0.25000000 Z=0.64673000 Na1 NPT= 781 R0=0.00010000 RMT= 2.50000 Z: 11.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 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