# generated using pymatgen data_Zr5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94545163 _cell_length_b 7.94545076 _cell_length_c 17.16599705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999943 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Ir3 _chemical_formula_sum 'Zr30 Ir18' _cell_volume 938.50544423 _cell_formula_units_Z 6 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 Zr Zr0 1 0.23832588 0.23010675 0.82583385 1.0 Zr Zr1 1 0.76989325 0.00821913 0.15916785 1.0 Zr Zr2 1 0.99178087 0.76167412 0.49250085 1.0 Zr Zr3 1 0.00821913 0.23832588 0.99250085 1.0 Zr Zr4 1 0.76167412 0.99178087 0.84083215 1.0 Zr Zr5 1 0.76167412 0.76989325 0.32583385 1.0 Zr Zr6 1 0.23010675 0.99178087 0.65916785 1.0 Zr Zr7 1 0.76989325 0.76167412 0.00749915 1.0 Zr Zr8 1 0.99178087 0.23010675 0.67416615 1.0 Zr Zr9 1 0.00821913 0.76989325 0.17416615 1.0 Zr Zr10 1 0.23010675 0.23832588 0.50749915 1.0 Zr Zr11 1 0.23832588 0.00821913 0.34083215 1.0 Zr Zr12 1 0.34519249 0.69038297 0.75000000 1.0 Zr Zr13 1 0.65480751 0.34519249 0.91666700 1.0 Zr Zr14 1 0.69038297 0.34519249 0.58333300 1.0 Zr Zr15 1 0.30961703 0.65480751 0.08333300 1.0 Zr Zr16 1 0.34519249 0.65480751 0.41666700 1.0 Zr Zr17 1 0.65480751 0.30961703 0.25000000 1.0 Zr Zr18 1 0.25120851 -0.00000000 -0.00000000 1.0 Zr Zr19 1 0.25120851 0.25120851 0.16666700 1.0 Zr Zr20 1 -0.00000000 0.74879149 0.83333300 1.0 Zr Zr21 1 0.00000000 0.25120851 0.33333300 1.0 Zr Zr22 1 0.74879149 0.74879149 0.66666700 1.0 Zr Zr23 1 0.74879149 0.00000000 0.50000000 1.0 Zr Zr24 1 0.37596974 0.75193848 0.25000000 1.0 Zr Zr25 1 0.62403026 0.37596974 0.41666700 1.0 Zr Zr26 1 0.75193848 0.37596974 0.08333300 1.0 Zr Zr27 1 0.24806152 0.62403026 0.58333300 1.0 Zr Zr28 1 0.37596974 0.62403026 0.91666700 1.0 Zr Zr29 1 0.62403026 0.24806152 0.75000000 1.0 Ir Ir30 1 0.41556639 0.39393446 0.02370812 1.0 Ir Ir31 1 0.60606554 0.02163193 0.35704112 1.0 Ir Ir32 1 0.97836807 0.58443361 0.69037412 1.0 Ir Ir33 1 0.02163193 0.41556639 0.19037412 1.0 Ir Ir34 1 0.58443361 0.97836807 0.64295888 1.0 Ir Ir35 1 0.58443361 0.60606554 0.52370812 1.0 Ir Ir36 1 0.39393446 0.97836807 0.85704112 1.0 Ir Ir37 1 0.60606554 0.58443361 0.80962588 1.0 Ir Ir38 1 0.97836807 0.39393446 0.47629188 1.0 Ir Ir39 1 0.02163193 0.60606554 0.97629188 1.0 Ir Ir40 1 0.39393446 0.41556639 0.30962588 1.0 Ir Ir41 1 0.41556639 0.02163193 0.14295888 1.0 Ir Ir42 1 0.38217673 -0.00000000 0.50000000 1.0 Ir Ir43 1 0.38217673 0.38217673 0.66666700 1.0 Ir Ir44 1 -0.00000000 0.61782327 0.33333300 1.0 Ir Ir45 1 0.00000000 0.38217673 0.83333300 1.0 Ir Ir46 1 0.61782327 0.61782327 0.16666700 1.0 Ir Ir47 1 0.61782327 0.00000000 -0.00000000 1.0