# generated using pymatgen data_TaSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29172776 _cell_length_b 6.29172776 _cell_length_c 5.40550600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999743 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSn3 _chemical_formula_sum 'Ta2 Sn6' _cell_volume 185.31340732 _cell_formula_units_Z 2 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 Ta Ta0 1 0.33333300 0.66666700 0.75000000 1.0 Ta Ta1 1 0.66666700 0.33333300 0.25000000 1.0 Sn Sn2 1 0.17423200 0.34846500 0.25000000 1.0 Sn Sn3 1 0.65153500 0.82576800 0.25000000 1.0 Sn Sn4 1 0.17423200 0.82576800 0.25000000 1.0 Sn Sn5 1 0.82576800 0.65153500 0.75000000 1.0 Sn Sn6 1 0.34846500 0.17423200 0.75000000 1.0 Sn Sn7 1 0.82576800 0.17423200 0.75000000 1.0