# generated using pymatgen data_Ac4Ir5Br2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.89965004 _cell_length_b 11.89918804 _cell_length_c 4.35587780 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.41909938 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac4Ir5Br2 _chemical_formula_sum 'Ac8 Ir10 Br4' _cell_volume 616.22596738 _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 0.72465025 0.72467683 0.00000000 1.0 Ac Ac1 1 0.03390969 0.65741937 0.50000000 1.0 Ac Ac2 1 0.37488030 0.62513901 0.00000000 1.0 Ac Ac3 1 0.96609031 0.34258063 0.50000000 1.0 Ac Ac4 1 0.27534975 0.27532317 0.00000000 1.0 Ac Ac5 1 0.62511970 0.37486099 0.00000000 1.0 Ac Ac6 1 0.65741215 0.03390435 0.50000000 1.0 Ac Ac7 1 0.34258785 0.96609565 0.50000000 1.0 Ir Ir8 1 0.57464699 0.57465668 0.50000000 1.0 Ir Ir9 1 0.42535301 0.42534332 0.50000000 1.0 Ir Ir10 1 0.22030954 0.47004527 0.50000000 1.0 Ir Ir11 1 0.77969046 0.52995473 0.50000000 1.0 Ir Ir12 1 0.51837047 0.88737269 0.00000000 1.0 Ir Ir13 1 0.52994283 0.77970256 0.50000000 1.0 Ir Ir14 1 0.48162953 0.11262731 0.00000000 1.0 Ir Ir15 1 0.11265387 0.48162151 0.00000000 1.0 Ir Ir16 1 0.47005717 0.22029744 0.50000000 1.0 Ir Ir17 1 0.88734613 0.51837849 0.00000000 1.0 Br Br18 1 0.88077072 0.88082919 0.50000000 1.0 Br Br19 1 0.16898064 0.83105966 0.00000000 1.0 Br Br20 1 0.11922928 0.11917081 0.50000000 1.0 Br Br21 1 0.83101936 0.16894034 0.00000000 1.0