# generated using pymatgen data_Zr2(Ga3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44328909 _cell_length_b 7.44328863 _cell_length_c 9.23117942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00298549 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2(Ga3Ir)3 _chemical_formula_sum 'Zr4 Ga18 Ir6' _cell_volume 442.89880119 _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 Zr Zr0 1 0.99584723 0.66951915 0.25000000 1.0 Zr Zr1 1 0.00415277 0.33048085 0.75000000 1.0 Zr Zr2 1 0.66951915 0.99584723 0.25000000 1.0 Zr Zr3 1 0.33048085 0.00415277 0.75000000 1.0 Ga Ga4 1 0.12693311 0.12693211 0.25000000 1.0 Ga Ga5 1 0.87306789 0.87306689 0.75000000 1.0 Ga Ga6 1 0.99781456 0.33415796 0.08047976 1.0 Ga Ga7 1 0.00218544 0.66584204 0.91952024 1.0 Ga Ga8 1 0.00218544 0.66584204 0.58047976 1.0 Ga Ga9 1 0.33415796 0.99781456 0.41952024 1.0 Ga Ga10 1 0.99781456 0.33415796 0.41952024 1.0 Ga Ga11 1 0.66584204 0.00218544 0.58047976 1.0 Ga Ga12 1 0.66584204 0.00218544 0.91952024 1.0 Ga Ga13 1 0.33415796 0.99781456 0.08047976 1.0 Ga Ga14 1 0.33155917 0.33155917 0.57292541 1.0 Ga Ga15 1 0.66844083 0.66844083 0.42707459 1.0 Ga Ga16 1 0.66844083 0.66844083 0.07292541 1.0 Ga Ga17 1 0.33155917 0.33155917 0.92707459 1.0 Ga Ga18 1 0.33634163 0.54906462 0.25000000 1.0 Ga Ga19 1 0.66365837 0.45093538 0.75000000 1.0 Ga Ga20 1 0.54906462 0.33634163 0.25000000 1.0 Ga Ga21 1 0.45093538 0.66365837 0.75000000 1.0 Ir Ir22 1 0.67223924 0.32776076 0.00000000 1.0 Ir Ir23 1 0.32776076 0.67223924 0.00000000 1.0 Ir Ir24 1 0.32776076 0.67223924 0.50000000 1.0 Ir Ir25 1 0.67223924 0.32776076 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0