# generated using pymatgen data_Rb4TaTiBr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42602031 _cell_length_b 7.42602031 _cell_length_c 10.93733167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb4TaTiBr12 _chemical_formula_sum 'Rb4 Ta1 Ti1 Br12' _cell_volume 603.14766022 _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 0.77446545 1.0 Rb Rb1 1 0.50000000 0.00000000 0.22553455 1.0 Rb Rb2 1 0.00000000 0.50000000 0.22553455 1.0 Rb Rb3 1 0.00000000 0.50000000 0.77446545 1.0 Ta Ta4 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1.0 Br Br6 1 0.76253631 0.24709605 0.00000000 1.0 Br Br7 1 0.23746369 0.75290395 0.00000000 1.0 Br Br8 1 0.50000000 0.50000000 0.26585899 1.0 Br Br9 1 0.31215393 0.21399450 0.50000000 1.0 Br Br10 1 0.24709605 0.23746369 0.00000000 1.0 Br Br11 1 0.78600550 0.31215393 0.50000000 1.0 Br Br12 1 0.00000000 0.00000000 0.23473791 1.0 Br Br13 1 0.68784607 0.78600550 0.50000000 1.0 Br Br14 1 0.21399450 0.68784607 0.50000000 1.0 Br Br15 1 0.50000000 0.50000000 0.73414101 1.0 Br Br16 1 0.75290395 0.76253631 0.00000000 1.0 Br Br17 1 0.00000000 0.00000000 0.76526209 1.0