# generated using pymatgen data_Ti5Nb3Re8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29467422 _cell_length_b 6.29467422 _cell_length_c 6.29467422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Nb3Re8 _chemical_formula_sum 'Ti5 Nb3 Re8' _cell_volume 249.41339525 _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 Ti Ti0 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.49999900 0.49999900 0.00000000 1.0 Ti Ti2 1 0.49999900 0.00000000 0.49999900 1.0 Ti Ti3 1 0.00000000 0.49999900 0.49999900 1.0 Ti Ti4 1 0.49999900 0.49999900 0.49999900 1.0 Nb Nb5 1 0.49999900 0.00000000 0.00000000 1.0 Nb Nb6 1 0.00000000 0.49999900 0.00000000 1.0 Nb Nb7 1 0.00000000 0.00000000 0.49999900 1.0 Re Re8 1 0.25116174 0.25116174 0.25116174 1.0 Re Re9 1 0.74883826 0.25116174 0.25116174 1.0 Re Re10 1 0.25116174 0.74883826 0.25116174 1.0 Re Re11 1 0.74883826 0.74883826 0.25116174 1.0 Re Re12 1 0.25116174 0.25116174 0.74883826 1.0 Re Re13 1 0.74883826 0.25116174 0.74883826 1.0 Re Re14 1 0.25116174 0.74883826 0.74883826 1.0 Re Re15 1 0.74883826 0.74883826 0.74883826 1.0