# generated using pymatgen data_CeIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30078384 _cell_length_b 5.30078384 _cell_length_c 17.61110461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000876 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeIr3 _chemical_formula_sum 'Ce6 Ir18' _cell_volume 428.54593466 _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 Ce Ce0 1 0.33333300 0.66666700 0.95731529 1.0 Ce Ce1 1 0.66666700 0.33333300 0.04268471 1.0 Ce Ce2 1 0.66666700 0.33333300 0.45731529 1.0 Ce Ce3 1 0.33333300 0.66666700 0.54268471 1.0 Ce Ce4 1 0.33333300 0.66666700 0.75000000 1.0 Ce Ce5 1 0.66666700 0.33333300 0.25000000 1.0 Ir Ir6 1 0.16764397 0.83235603 0.37372112 1.0 Ir Ir7 1 0.16764397 0.33528895 0.37372112 1.0 Ir Ir8 1 0.66471105 0.83235603 0.37372112 1.0 Ir Ir9 1 0.83235603 0.16764397 0.62627888 1.0 Ir Ir10 1 0.83235603 0.66471105 0.62627888 1.0 Ir Ir11 1 0.33528895 0.16764397 0.62627888 1.0 Ir Ir12 1 0.83235603 0.16764397 0.87372112 1.0 Ir Ir13 1 0.83235603 0.66471105 0.87372112 1.0 Ir Ir14 1 0.33528895 0.16764397 0.87372112 1.0 Ir Ir15 1 0.16764397 0.83235603 0.12627888 1.0 Ir Ir16 1 0.16764397 0.33528895 0.12627888 1.0 Ir Ir17 1 0.66471105 0.83235603 0.12627888 1.0 Ir Ir18 1 0.33333300 0.66666700 0.25000000 1.0 Ir Ir19 1 0.66666700 0.33333300 0.75000000 1.0 Ir Ir20 1 0.00000000 -0.00000000 0.25000000 1.0 Ir Ir21 1 0.00000000 -0.00000000 0.75000000 1.0 Ir Ir22 1 0.00000000 -0.00000000 0.50000000 1.0 Ir Ir23 1 0.00000000 -0.00000000 0.00000000 1.0