# generated using pymatgen data_Ti2Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96672611 _cell_length_b 7.02979359 _cell_length_c 10.44292380 _cell_angle_alpha 90.00057530 _cell_angle_beta 106.65232566 _cell_angle_gamma 89.99891443 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Sn3 _chemical_formula_sum 'Ti8 Sn12' _cell_volume 419.65661049 _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 0.08141453 0.45303873 0.16112003 1.0 Ti Ti1 1 0.58669627 0.25019768 0.67350806 1.0 Ti Ti2 1 0.91418730 0.75032819 0.32626380 1.0 Ti Ti3 1 0.41415887 0.75043092 0.32624015 1.0 Ti Ti4 1 0.58133885 0.04775986 0.16111945 1.0 Ti Ti5 1 0.08670856 0.25048054 0.67349067 1.0 Ti Ti6 1 0.91979861 0.54774479 0.83865343 1.0 Ti Ti7 1 0.41985549 0.95300490 0.83863573 1.0 Sn Sn8 1 0.22495802 0.42898986 0.44854374 1.0 Sn Sn9 1 0.87871470 0.92672236 0.75716763 1.0 Sn Sn10 1 0.72488017 0.07174497 0.44853260 1.0 Sn Sn11 1 0.27574827 0.92893922 0.55121663 1.0 Sn Sn12 1 0.77154925 0.75071936 0.04058090 1.0 Sn Sn13 1 0.12250262 0.07401924 0.24261030 1.0 Sn Sn14 1 0.37864512 0.57396459 0.75717731 1.0 Sn Sn15 1 0.72999842 0.25053616 0.95924764 1.0 Sn Sn16 1 0.77570567 0.57168541 0.55120201 1.0 Sn Sn17 1 0.27152230 0.75007329 0.04052586 1.0 Sn Sn18 1 0.22997334 0.25014674 0.95920824 1.0 Sn Sn19 1 0.62252064 0.42681518 0.24252082 1.0