# generated using pymatgen data_Ac2Ir2I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42723297 _cell_length_b 4.42723122 _cell_length_c 18.56274743 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac2Ir2I _chemical_formula_sum 'Ac4 Ir4 I2' _cell_volume 315.09209454 _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 Ac Ac0 1 0.00000000 0.00000000 0.10468650 1.0 Ac Ac1 1 0.00000000 0.00000000 0.89531350 1.0 Ac Ac2 1 0.00000000 0.00000000 0.60468650 1.0 Ac Ac3 1 0.00000000 0.00000000 0.39531350 1.0 Ir Ir4 1 0.33333300 0.66666700 0.50008793 1.0 Ir Ir5 1 0.66666700 0.33333300 0.49991207 1.0 Ir Ir6 1 0.66666700 0.33333300 0.00008793 1.0 Ir Ir7 1 0.33333300 0.66666700 0.99991207 1.0 I I8 1 0.33333300 0.66666700 0.25000000 1.0 I I9 1 0.66666700 0.33333300 0.75000000 1.0