# generated using pymatgen data_Ta10SeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33283300 _cell_length_b 3.33283300 _cell_length_c 22.16089700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta10SeS3 _chemical_formula_sum 'Ta10 Se1 S3' _cell_volume 246.15827553 _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 Ta Ta0 1 0.50000000 0.50000000 0.34813100 1.0 Ta Ta1 1 0.00000000 0.00000000 0.84768400 1.0 Ta Ta2 1 0.00000000 0.00000000 0.14727000 1.0 Ta Ta3 1 0.50000000 0.50000000 0.65209200 1.0 Ta Ta4 1 0.50000000 0.50000000 0.07149300 1.0 Ta Ta5 1 0.00000000 0.00000000 0.57373400 1.0 Ta Ta6 1 0.00000000 0.00000000 0.42674900 1.0 Ta Ta7 1 0.50000000 0.50000000 0.92539000 1.0 Ta Ta8 1 0.00000000 0.00000000 0.99826800 1.0 Ta Ta9 1 0.50000000 0.50000000 0.50029300 1.0 Se Se10 1 0.50000000 0.50000000 0.20330600 1.0 S S11 1 0.00000000 0.00000000 0.69704100 1.0 S S12 1 0.00000000 0.00000000 0.30571200 1.0 S S13 1 0.50000000 0.50000000 0.80283700 1.0