# generated using pymatgen data_Ti9Nb3Sn9Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29112389 _cell_length_b 9.35724901 _cell_length_c 5.67221861 _cell_angle_alpha 90.70798473 _cell_angle_beta 89.99993947 _cell_angle_gamma 119.76657084 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti9Nb3Sn9Sb _chemical_formula_sum 'Ti9 Nb3 Sn9 Sb1' _cell_volume 428.02858639 _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 0.84091619 0.68183238 0.76240595 1.0 Ti Ti1 1 0.15615138 0.84292620 0.24954355 1.0 Ti Ti2 1 0.68677482 0.84292620 0.24954455 1.0 Ti Ti3 1 0.30848985 0.15903295 0.74993007 1.0 Ti Ti4 1 0.85054310 0.15903195 0.74993007 1.0 Ti Ti5 1 0.15630675 0.31261251 0.24083822 1.0 Ti Ti6 1 0.00241040 0.50056235 0.49969020 1.0 Ti Ti7 1 0.50016786 0.00033472 0.00010288 1.0 Ti Ti8 1 0.49815294 0.50056335 0.49969020 1.0 Nb Nb9 1 0.49968494 0.99936888 0.49790581 1.0 Nb Nb10 1 0.49896466 0.50083849 0.99978256 1.0 Nb Nb11 1 0.00187383 0.50083849 0.99978156 1.0 Sn Sn12 1 0.79708185 0.20500452 0.25010304 1.0 Sn Sn13 1 0.40792367 0.20500552 0.25010304 1.0 Sn Sn14 1 0.59671813 0.79998734 0.75043851 1.0 Sn Sn15 1 0.20327022 0.79998734 0.75043851 1.0 Sn Sn16 1 0.79424541 0.58849282 0.26238694 1.0 Sn Sn17 1 0.66549525 0.33099049 0.75181767 1.0 Sn Sn18 1 0.33486526 0.66972753 0.24637671 1.0 Sn Sn19 1 0.99727467 0.99455135 0.49942214 1.0 Sn Sn20 1 0.99810238 0.99620576 0.00088367 1.0 Sb Sb21 1 0.20458943 0.40917886 0.73888716 1.0