# generated using pymatgen data_Ba2Rh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40857707 _cell_length_b 4.40857644 _cell_length_c 18.41565958 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999028 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Rh2Br _chemical_formula_sum 'Ba4 Rh4 Br2' _cell_volume 309.96650385 _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 Ba Ba0 1 0.00000000 0.00000000 0.11738395 1.0 Ba Ba1 1 0.00000000 0.00000000 0.88261605 1.0 Ba Ba2 1 0.00000000 0.00000000 0.61738395 1.0 Ba Ba3 1 0.00000000 0.00000000 0.38261605 1.0 Rh Rh4 1 0.33333300 0.66666700 0.50061802 1.0 Rh Rh5 1 0.66666700 0.33333300 0.49938198 1.0 Rh Rh6 1 0.66666700 0.33333300 0.00061802 1.0 Rh Rh7 1 0.33333300 0.66666700 0.99938198 1.0 Br Br8 1 0.33333300 0.66666700 0.25000000 1.0 Br Br9 1 0.66666700 0.33333300 0.75000000 1.0