# generated using pymatgen data_Nd2Y2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94352644 _cell_length_b 12.70560717 _cell_length_c 13.12278422 _cell_angle_alpha 81.00006492 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Y2P7Ir8 _chemical_formula_sum 'Nd4 Y4 P14 Ir16' _cell_volume 649.42076843 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 0.25000000 0.10621861 0.78876508 1.0 Nd Nd1 1 0.75000000 0.89378139 0.21123492 1.0 Nd Nd2 1 0.25000000 0.28042342 0.10093672 1.0 Nd Nd3 1 0.75000000 0.71957658 0.89906328 1.0 Y Y4 1 0.25000000 0.51913144 0.29362366 1.0 Y Y5 1 0.75000000 0.48086856 0.70637634 1.0 Y Y6 1 0.25000000 0.20948954 0.43908181 1.0 Y Y7 1 0.75000000 0.79051046 0.56091819 1.0 P P8 1 0.25000000 0.05261947 0.09980491 1.0 P P9 1 0.75000000 0.94738053 0.90019509 1.0 P P10 1 0.25000000 0.31643327 0.68711736 1.0 P P11 1 0.75000000 0.68356673 0.31288264 1.0 P P12 1 0.25000000 0.60937040 0.56406749 1.0 P P13 1 0.75000000 0.39062960 0.43593251 1.0 P P14 1 0.25000000 0.84254555 0.71669239 1.0 P P15 1 0.75000000 0.15745445 0.28330761 1.0 P P16 1 0.75000000 0.25766331 0.91645080 1.0 P P17 1 0.25000000 0.74233669 0.08354920 1.0 P P18 1 0.75000000 0.09131482 0.58938248 1.0 P P19 1 0.25000000 0.90868518 0.41061752 1.0 P P20 1 0.75000000 0.47037051 0.12938079 1.0 P P21 1 0.25000000 0.52962949 0.87061921 1.0 Ir Ir22 1 0.25000000 0.98963569 0.57587354 1.0 Ir Ir23 1 0.75000000 0.01036431 0.42412646 1.0 Ir Ir24 1 0.25000000 0.66134298 0.72628956 1.0 Ir Ir25 1 0.75000000 0.33865702 0.27371044 1.0 Ir Ir26 1 0.25000000 0.54791990 0.05168698 1.0 Ir Ir27 1 0.75000000 0.45208010 0.94831302 1.0 Ir Ir28 1 0.25000000 0.06344816 0.27342280 1.0 Ir Ir29 1 0.75000000 0.93655184 0.72657720 1.0 Ir Ir30 1 0.25000000 0.42279112 0.52371474 1.0 Ir Ir31 1 0.75000000 0.57720888 0.47628526 1.0 Ir Ir32 1 0.25000000 0.91527148 0.99854029 1.0 Ir Ir33 1 0.75000000 0.08472852 0.00145971 1.0 Ir Ir34 1 0.25000000 0.72941384 0.39686046 1.0 Ir Ir35 1 0.75000000 0.27058616 0.60313954 1.0 Ir Ir36 1 0.25000000 0.34335999 0.85702338 1.0 Ir Ir37 1 0.75000000 0.65664001 0.14297662 1.0