# generated using pymatgen data_Rb4IrRuBr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37155825 _cell_length_b 7.37155825 _cell_length_c 10.55390791 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb4IrRuBr12 _chemical_formula_sum 'Rb4 Ir1 Ru1 Br12' _cell_volume 573.49799504 _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 Rb Rb0 1 0.50000000 0.00000000 0.75292472 1.0 Rb Rb1 1 0.00000000 0.50000000 0.24707528 1.0 Rb Rb2 1 0.50000000 0.00000000 0.24707528 1.0 Rb Rb3 1 0.00000000 0.50000000 0.75292472 1.0 Ir Ir4 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru5 1 0.50000000 0.50000000 0.50000000 1.0 Br Br6 1 0.00000000 0.00000000 0.76227418 1.0 Br Br7 1 0.50000000 0.50000000 0.26452500 1.0 Br Br8 1 0.73893728 0.73893728 0.50000000 1.0 Br Br9 1 0.23857565 0.23857565 0.00000000 1.0 Br Br10 1 0.73893728 0.26106272 0.50000000 1.0 Br Br11 1 0.23857565 0.76142435 0.00000000 1.0 Br Br12 1 0.00000000 0.00000000 0.23772582 1.0 Br Br13 1 0.50000000 0.50000000 0.73547500 1.0 Br Br14 1 0.26106272 0.26106272 0.50000000 1.0 Br Br15 1 0.76142435 0.76142435 0.00000000 1.0 Br Br16 1 0.26106272 0.73893728 0.50000000 1.0 Br Br17 1 0.76142435 0.23857565 0.00000000 1.0