# generated using pymatgen data_TeW2SeS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30636828 _cell_length_b 3.30636828 _cell_length_c 37.71000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000551 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeW2SeS2 _chemical_formula_sum 'Te2 W4 Se2 S4' _cell_volume 357.01757060 _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 0.70859500 1.0 Te Te1 1 0.33333300 0.66666700 0.60658900 1.0 W W2 1 0.33333300 0.66666700 0.09392800 1.0 W W3 1 0.33333300 0.66666700 0.46958600 1.0 W W4 1 0.66666700 0.33333300 0.28180000 1.0 W W5 1 0.66666700 0.33333300 0.65760000 1.0 Se Se6 1 0.66666700 0.33333300 0.42482500 1.0 Se Se7 1 0.66666700 0.33333300 0.51438300 1.0 S S8 1 0.33333300 0.66666700 0.32247700 1.0 S S9 1 0.66666700 0.33333300 0.05324000 1.0 S S10 1 0.66666700 0.33333300 0.13460500 1.0 S S11 1 0.33333300 0.66666700 0.24112000 1.0