LiFeAs P LATTICE,NONEQUIV.ATOMS: 3129_P4/nmm MODE OF CALC=RELA unit=ang 7.164710 7.164710 12.026033 90.000000 90.000000 90.000000 ATOM -1: X=0.75000000 Y=0.25000000 Z=0.50000000 MULT= 2 ISPLIT=-2 -1: X=0.25000000 Y=0.75000000 Z=0.50000000 Fe NPT= 781 R0=0.00010000 RMT= 2.4100 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=0.25000000 Y=0.25000000 Z=0.26350000 MULT= 2 ISPLIT=-2 -2: X=0.75000000 Y=0.75000000 Z=0.73650000 As NPT= 781 R0=0.00010000 RMT= 2.1400 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=0.25000000 Y=0.25000000 Z=0.84590000 MULT= 2 ISPLIT=-2 -3: X=0.75000000 Y=0.75000000 Z=0.15410000 Li NPT= 781 R0=0.00010000 RMT= 2.5000 Z: 3.0 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 0-1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 2 0 1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 3 1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 4 -1 0 0 0.50000000 0 1 0 0.00000000 0 0 1 0.00000000 5 -1 0 0 0.50000000 0-1 0 0.50000000 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 0.50000000 -1 0 0 0.00000000 0 0-1 0.00000000 8 0 1 0 0.00000000 -1 0 0 0.50000000 0 0 1 0.00000000 9 0-1 0 0.00000000 1 0 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 0.50000000 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 1 0 0 0.00000000 0-1 0 0.50000000 0 0 1 0.00000000 15 1 0 0 0.50000000 0 1 0 0.50000000 0 0-1 0.00000000 16