# generated using pymatgen data_Zr9W4S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77559098 _cell_length_b 8.77559098 _cell_length_c 8.68615700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000736 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9W4S _chemical_formula_sum 'Zr18 W8 S2' _cell_volume 579.30999305 _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 Zr Zr0 1 0.53907800 0.07815700 0.25000000 1.0 Zr Zr1 1 0.46092200 0.92184300 0.75000000 1.0 Zr Zr2 1 0.92184300 0.46092200 0.25000000 1.0 Zr Zr3 1 0.07815700 0.53907800 0.75000000 1.0 Zr Zr4 1 0.53907800 0.46092200 0.25000000 1.0 Zr Zr5 1 0.46092200 0.53907800 0.75000000 1.0 Zr Zr6 1 0.19686600 0.39373300 0.04972500 1.0 Zr Zr7 1 0.80313400 0.60626700 0.95027500 1.0 Zr Zr8 1 0.60626700 0.80313400 0.04972500 1.0 Zr Zr9 1 0.80313400 0.60626700 0.54972500 1.0 Zr Zr10 1 0.39373300 0.19686600 0.95027500 1.0 Zr Zr11 1 0.19686600 0.39373300 0.45027500 1.0 Zr Zr12 1 0.19686600 0.80313400 0.04972500 1.0 Zr Zr13 1 0.39373300 0.19686600 0.54972500 1.0 Zr Zr14 1 0.80313400 0.19686600 0.95027500 1.0 Zr Zr15 1 0.60626700 0.80313400 0.45027500 1.0 Zr Zr16 1 0.80313400 0.19686600 0.54972500 1.0 Zr Zr17 1 0.19686600 0.80313400 0.45027500 1.0 W W18 1 0.00000000 0.00000000 0.00000000 1.0 W W19 1 0.00000000 0.00000000 0.50000000 1.0 W W20 1 0.89132200 0.78264400 0.25000000 1.0 W W21 1 0.10867800 0.21735600 0.75000000 1.0 W W22 1 0.21735600 0.10867800 0.25000000 1.0 W W23 1 0.78264400 0.89132200 0.75000000 1.0 W W24 1 0.89132200 0.10867800 0.25000000 1.0 W W25 1 0.10867800 0.89132200 0.75000000 1.0 S S26 1 0.33333300 0.66666700 0.25000000 1.0 S S27 1 0.66666700 0.33333300 0.75000000 1.0