# generated using pymatgen data_Nb10Al3Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.91559392 _cell_length_b 9.91559392 _cell_length_c 5.18525196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb10Al3Ir2 _chemical_formula_sum 'Nb20 Al6 Ir4' _cell_volume 509.80880203 _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 Nb Nb0 1 0.39797000 0.39243223 0.00000000 1.0 Nb Nb1 1 0.89243223 0.10203000 0.50000000 1.0 Nb Nb2 1 0.10756777 0.89797000 0.50000000 1.0 Nb Nb3 1 0.60203000 0.60756777 0.00000000 1.0 Nb Nb4 1 0.12889918 0.46493412 0.00000000 1.0 Nb Nb5 1 0.96493412 0.37110082 0.50000000 1.0 Nb Nb6 1 0.03506588 0.62889918 0.50000000 1.0 Nb Nb7 1 0.87110082 0.53506588 0.00000000 1.0 Nb Nb8 1 0.37372800 0.96480869 0.50000000 1.0 Nb Nb9 1 0.62627200 0.03519131 0.50000000 1.0 Nb Nb10 1 0.46480869 0.12627200 0.00000000 1.0 Nb Nb11 1 0.53519131 0.87372800 0.00000000 1.0 Nb Nb12 1 0.18253062 0.18274045 0.24966239 1.0 Nb Nb13 1 0.68274045 0.31746938 0.74966239 1.0 Nb Nb14 1 0.31725955 0.68253062 0.74966239 1.0 Nb Nb15 1 0.81746938 0.81725955 0.24966239 1.0 Nb Nb16 1 0.31725955 0.68253062 0.25033761 1.0 Nb Nb17 1 0.68274045 0.31746938 0.25033761 1.0 Nb Nb18 1 0.18253062 0.18274045 0.75033761 1.0 Nb Nb19 1 0.81746938 0.81725955 0.75033761 1.0 Al Al20 1 0.00000000 0.00000000 0.00000000 1.0 Al Al21 1 0.50000000 0.50000000 0.50000000 1.0 Al Al22 1 0.24308674 0.43251633 0.50000000 1.0 Al Al23 1 0.75691326 0.56748367 0.50000000 1.0 Al Al24 1 0.93251633 0.25691326 0.00000000 1.0 Al Al25 1 0.06748367 0.74308674 0.00000000 1.0 Ir Ir26 1 0.25820953 0.93316893 0.00000000 1.0 Ir Ir27 1 0.43316893 0.24179047 0.50000000 1.0 Ir Ir28 1 0.56683107 0.75820953 0.50000000 1.0 Ir Ir29 1 0.74179047 0.06683107 0.00000000 1.0