# generated using pymatgen data_Rb4MoIrBr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33433683 _cell_length_b 7.33433683 _cell_length_c 10.83051692 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb4MoIrBr12 _chemical_formula_sum 'Rb4 Mo1 Ir1 Br12' _cell_volume 582.60054660 _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 0.75953012 1.0 Rb Rb1 1 0.00000000 0.50000000 0.24046988 1.0 Rb Rb2 1 0.50000000 0.00000000 0.24046988 1.0 Rb Rb3 1 0.00000000 0.50000000 0.75953012 1.0 Mo Mo4 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir5 1 0.00000000 0.00000000 0.00000000 1.0 Br Br6 1 0.00000000 0.00000000 0.76874909 1.0 Br Br7 1 0.50000000 0.50000000 0.26281442 1.0 Br Br8 1 0.74337307 0.74337307 0.50000000 1.0 Br Br9 1 0.23973620 0.23973620 0.00000000 1.0 Br Br10 1 0.74337307 0.25662693 0.50000000 1.0 Br Br11 1 0.23973620 0.76026380 0.00000000 1.0 Br Br12 1 0.00000000 0.00000000 0.23125091 1.0 Br Br13 1 0.50000000 0.50000000 0.73718558 1.0 Br Br14 1 0.25662693 0.25662693 0.50000000 1.0 Br Br15 1 0.76026380 0.76026380 0.00000000 1.0 Br Br16 1 0.25662693 0.74337307 0.50000000 1.0 Br Br17 1 0.76026380 0.23973620 0.00000000 1.0