# generated using pymatgen data_Ti12Sn7Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27568983 _cell_length_b 9.27770180 _cell_length_c 5.65035096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99321402 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti12Sn7Sb3 _chemical_formula_sum 'Ti12 Sn7 Sb3' _cell_volume 421.13600813 _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 0.84115297 0.68231872 0.75000000 1.0 Ti Ti1 1 0.16053516 0.84720278 0.25000000 1.0 Ti Ti2 1 0.68666685 0.84720250 0.25000000 1.0 Ti Ti3 1 0.30829027 0.15714872 0.75000000 1.0 Ti Ti4 1 0.84885694 0.15714277 0.75000000 1.0 Ti Ti5 1 0.15197694 0.30394569 0.25000000 1.0 Ti Ti6 1 0.50219094 0.00437265 0.49877561 1.0 Ti Ti7 1 0.49872541 0.49872398 0.99898488 1.0 Ti Ti8 1 0.99999933 0.49872449 0.99898237 1.0 Ti Ti9 1 0.99999933 0.49872449 0.50101763 1.0 Ti Ti10 1 0.50219094 0.00437265 0.00122439 1.0 Ti Ti11 1 0.49872541 0.49872398 0.50101512 1.0 Sn Sn12 1 0.59184492 0.79867689 0.75000000 1.0 Sn Sn13 1 0.20684007 0.79868368 0.75000000 1.0 Sn Sn14 1 0.79826178 0.59653694 0.25000000 1.0 Sn Sn15 1 0.66714033 0.33428853 0.75000000 1.0 Sn Sn16 1 0.33418541 0.66835341 0.25000000 1.0 Sn Sn17 1 0.99556925 0.99114366 0.50087271 1.0 Sn Sn18 1 0.99556925 0.99114366 0.99912729 1.0 Sb Sb19 1 0.20502690 0.41004571 0.75000000 1.0 Sb Sb20 1 0.79948774 0.20626272 0.25000000 1.0 Sb Sb21 1 0.40676586 0.20626038 0.25000000 1.0