# generated using pymatgen data_TeW2Se2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34193422 _cell_length_b 3.34193422 _cell_length_c 38.14508700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000443 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeW2Se2S _chemical_formula_sum 'Te2 W4 Se4 S2' _cell_volume 368.94787871 _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 Te Te0 1 0.33333300 0.66666700 0.33177300 1.0 Te Te1 1 0.33333300 0.66666700 0.23176700 1.0 W W2 1 0.33333300 0.66666700 0.09391000 1.0 W W3 1 0.33333300 0.66666700 0.46969700 1.0 W W4 1 0.66666700 0.33333300 0.28176900 1.0 W W5 1 0.66666700 0.33333300 0.65753400 1.0 Se Se6 1 0.33333300 0.66666700 0.70142600 1.0 Se Se7 1 0.66666700 0.33333300 0.42580700 1.0 Se Se8 1 0.66666700 0.33333300 0.51358500 1.0 Se Se9 1 0.33333300 0.66666700 0.61364900 1.0 S S10 1 0.66666700 0.33333300 0.05398700 1.0 S S11 1 0.66666700 0.33333300 0.13384500 1.0