# generated using pymatgen data_Zr3Be2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.45311249 _cell_length_b 9.45311249 _cell_length_c 3.35710981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Be2Ir5 _chemical_formula_sum 'Zr6 Be4 Ir10' _cell_volume 299.99581668 _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 0.17501275 0.67501275 0.00000000 1.0 Zr Zr1 1 0.32498725 0.17501275 0.00000000 1.0 Zr Zr2 1 0.82498725 0.32498725 0.00000000 1.0 Zr Zr3 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr4 1 0.67501275 0.82498725 0.00000000 1.0 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1.0 Be Be6 1 0.38095276 0.88095276 0.00000000 1.0 Be Be7 1 0.11904724 0.38095276 0.00000000 1.0 Be Be8 1 0.88095276 0.61904724 0.00000000 1.0 Be Be9 1 0.61904724 0.11904724 0.00000000 1.0 Ir Ir10 1 0.21702675 0.92771781 0.50000000 1.0 Ir Ir11 1 0.92771781 0.78297325 0.50000000 1.0 Ir Ir12 1 0.42771781 0.71702675 0.50000000 1.0 Ir Ir13 1 0.57228219 0.28297325 0.50000000 1.0 Ir Ir14 1 0.71702675 0.57228219 0.50000000 1.0 Ir Ir15 1 0.28297325 0.42771781 0.50000000 1.0 Ir Ir16 1 0.07228219 0.21702675 0.50000000 1.0 Ir Ir17 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.78297325 0.07228219 0.50000000 1.0