# generated using pymatgen data_Ti2FeB2Ru4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94493100 _cell_length_b 9.15272000 _cell_length_c 9.24212643 _cell_angle_alpha 89.80156252 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2FeB2Ru4Rh _chemical_formula_sum 'Ti4 Fe2 B4 Ru8 Rh2' _cell_volume 249.11197269 _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 Ti Ti0 1 0.00000000 0.82481300 0.68032300 1.0 Ti Ti1 1 0.00000000 0.17518700 0.31967700 1.0 Ti Ti2 1 0.00000000 0.67526500 0.17136300 1.0 Ti Ti3 1 0.00000000 0.32473500 0.82863700 1.0 Fe Fe4 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe5 1 0.00000000 0.00000000 0.00000000 1.0 B B6 1 0.00000000 0.37506800 0.12537100 1.0 B B7 1 0.00000000 0.62493200 0.87462900 1.0 B B8 1 0.00000000 0.12230000 0.62657600 1.0 B B9 1 0.00000000 0.87770000 0.37342400 1.0 Ru Ru10 1 0.50000000 0.21133500 0.07404700 1.0 Ru Ru11 1 0.50000000 0.78866500 0.92595300 1.0 Ru Ru12 1 0.50000000 0.42675100 0.28968500 1.0 Ru Ru13 1 0.50000000 0.57324900 0.71031500 1.0 Ru Ru14 1 0.50000000 0.92520400 0.21257900 1.0 Ru Ru15 1 0.50000000 0.07479600 0.78742100 1.0 Ru Ru16 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru17 1 0.50000000 0.50000000 0.00000000 1.0 Rh Rh18 1 0.50000000 0.28672700 0.57308500 1.0 Rh Rh19 1 0.50000000 0.71327300 0.42691500 1.0