# generated using pymatgen data_Li3Nd5(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73620015 _cell_length_b 12.73620123 _cell_length_c 3.99905845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999722 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Nd5(P3Ir4)4 _chemical_formula_sum 'Li3 Nd5 P12 Ir16' _cell_volume 561.78246979 _cell_formula_units_Z 1 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 Li Li0 1 0.00000000 0.43982241 0.50000000 1.0 Li Li1 1 0.56017759 0.56017759 0.50000000 1.0 Li Li2 1 0.43982241 0.00000000 0.50000000 1.0 Nd Nd3 1 0.33333300 0.66666700 0.50000000 1.0 Nd Nd4 1 0.66666700 0.33333300 0.50000000 1.0 Nd Nd5 1 0.00000000 0.80823091 0.00000000 1.0 Nd Nd6 1 0.19176909 0.19176909 0.00000000 1.0 Nd Nd7 1 0.80823091 0.00000000 0.00000000 1.0 P P8 1 0.00000000 0.62614904 0.50000000 1.0 P P9 1 0.37385096 0.37385096 0.50000000 1.0 P P10 1 0.62614904 0.00000000 0.50000000 1.0 P P11 1 0.51825001 0.68835135 0.00000000 1.0 P P12 1 0.31164865 0.82989866 0.00000000 1.0 P P13 1 0.17010134 0.48174999 0.00000000 1.0 P P14 1 0.48174999 0.17010134 0.00000000 1.0 P P15 1 0.68835135 0.51825001 0.00000000 1.0 P P16 1 0.82989866 0.31164865 0.00000000 1.0 P P17 1 1.00000000 0.18179341 0.50000000 1.0 P P18 1 0.81820659 0.81820659 0.50000000 1.0 P P19 1 0.18179341 0.00000000 0.50000000 1.0 Ir Ir20 1 0.51032513 0.86954931 0.00000000 1.0 Ir Ir21 1 0.13045069 0.64077582 0.00000000 1.0 Ir Ir22 1 0.35922418 0.48967487 0.00000000 1.0 Ir Ir23 1 0.48967487 0.35922418 0.00000000 1.0 Ir Ir24 1 0.86954931 0.51032513 0.00000000 1.0 Ir Ir25 1 0.64077582 0.13045069 0.00000000 1.0 Ir Ir26 1 0.00000000 0.28171761 0.00000000 1.0 Ir Ir27 1 0.71828239 0.71828239 0.00000000 1.0 Ir Ir28 1 0.28171761 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62486489 0.80418825 0.50000000 1.0 Ir Ir30 1 0.19581175 0.82067764 0.50000000 1.0 Ir Ir31 1 0.17932236 0.37513511 0.50000000 1.0 Ir Ir32 1 0.37513511 0.17932236 0.50000000 1.0 Ir Ir33 1 0.80418825 0.62486489 0.50000000 1.0 Ir Ir34 1 0.82067764 0.19581175 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0