# generated using pymatgen data_Zr3Zn3NiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18134684 _cell_length_b 7.18134854 _cell_length_c 3.32478491 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99997891 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Zn3NiIr2 _chemical_formula_sum 'Zr3 Zn3 Ni1 Ir2' _cell_volume 148.49306994 _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 Zr Zr0 1 0.39883712 0.39883712 0.50000000 1.0 Zr Zr1 1 0.60116288 0.00000000 0.50000000 1.0 Zr Zr2 1 0.00000000 0.60116288 0.50000000 1.0 Zn Zn3 1 0.74848516 0.74848516 0.00000000 1.0 Zn Zn4 1 0.25151484 1.00000000 0.00000000 1.0 Zn Zn5 1 1.00000000 0.25151484 0.00000000 1.0 Ni Ni6 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir7 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir8 1 0.33333300 0.66666700 0.00000000 1.0