# generated using pymatgen data_Ti5Sn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04528910 _cell_length_b 8.44343130 _cell_length_c 10.26488663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Sn2Sb _chemical_formula_sum 'Ti20 Sn8 Sb4' _cell_volume 610.62130046 _cell_formula_units_Z 4 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 0.81211346 0.93402851 0.94255817 1.0 Ti Ti1 1 0.31211346 0.06597149 0.55744183 1.0 Ti Ti2 1 0.18788654 0.43402851 0.05744183 1.0 Ti Ti3 1 0.68788654 0.56597149 0.44255817 1.0 Ti Ti4 1 0.18788654 0.06597149 0.05744183 1.0 Ti Ti5 1 0.68788654 0.93402851 0.44255817 1.0 Ti Ti6 1 0.81211346 0.56597149 0.94255817 1.0 Ti Ti7 1 0.31211346 0.43402851 0.55744183 1.0 Ti Ti8 1 0.16736448 0.75000000 0.77520771 1.0 Ti Ti9 1 0.66736448 0.25000000 0.72479229 1.0 Ti Ti10 1 0.83263552 0.25000000 0.22479229 1.0 Ti Ti11 1 0.33263552 0.75000000 0.27520771 1.0 Ti Ti12 1 0.49386671 0.75000000 0.99694368 1.0 Ti Ti13 1 0.99386671 0.25000000 0.50305632 1.0 Ti Ti14 1 0.50613329 0.25000000 0.00305632 1.0 Ti Ti15 1 0.00613329 0.75000000 0.49694368 1.0 Ti Ti16 1 0.67958285 0.75000000 0.72027795 1.0 Ti Ti17 1 0.17958285 0.25000000 0.77972205 1.0 Ti Ti18 1 0.32041715 0.25000000 0.27972205 1.0 Ti Ti19 1 0.82041715 0.75000000 0.22027795 1.0 Sn Sn20 1 0.93746925 0.50360016 0.67562240 1.0 Sn Sn21 1 0.43746925 0.49639984 0.82437760 1.0 Sn Sn22 1 0.06253075 0.00360016 0.32437760 1.0 Sn Sn23 1 0.56253075 0.99639984 0.17562240 1.0 Sn Sn24 1 0.06253075 0.49639984 0.32437760 1.0 Sn Sn25 1 0.56253075 0.50360016 0.17562240 1.0 Sn Sn26 1 0.93746925 0.99639984 0.67562240 1.0 Sn Sn27 1 0.43746925 0.00360016 0.82437760 1.0 Sb Sb28 1 0.39388598 0.75000000 0.53805242 1.0 Sb Sb29 1 0.89388598 0.25000000 0.96194758 1.0 Sb Sb30 1 0.60611402 0.25000000 0.46194758 1.0 Sb Sb31 1 0.10611402 0.75000000 0.03805242 1.0