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= 8 ATOM -1:X= 0.25000000 Y=0.75000000 Z=0.50000000 Fe NPT= 781 R0=0.00010000 RMT= 2.0000 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=0.25000000 Y=0.25000000 Z=0.26350000 MULT= 2 ISPLIT= 8 ATOM 2:X= 0.75000000 Y=0.75000000 Z=0.73650000 As NPT= 781 R0=0.00010000 RMT= 2.0000 Z: 33.0 LOCAL ROT MATRIX: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 ATOM 3: X=0.25000000 Y=0.25000000 Z=0.84590000 MULT= 2 ISPLIT= 8 ATOM 3:X= 0.75000000 Y=0.75000000 Z=0.15410000 Li NPT= 781 R0=0.00010000 RMT= 2.0000 Z: 3.0 LOCAL ROT MATRIX: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0 NUMBER OF SYMMETRY OPERATIONS