# generated using pymatgen data_Mo9HS18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16808900 _cell_length_b 13.20517900 _cell_length_c 43.29767900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo9HS18 _chemical_formula_sum 'Mo18 H2 S36' _cell_volume 1811.36629556 _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 Mo Mo0 1 0.00000000 0.00000000 0.29829100 1.0 Mo Mo1 1 0.00000000 0.50000000 0.12778500 1.0 Mo Mo2 1 0.50000000 0.50000000 0.19164800 1.0 Mo Mo3 1 0.00000000 0.00000000 0.17005500 1.0 Mo Mo4 1 0.00000000 0.50000000 0.25551400 1.0 Mo Mo5 1 0.50000000 0.50000000 0.06397100 1.0 Mo Mo6 1 0.00000000 0.50000000 0.38328100 1.0 Mo Mo7 1 0.00000000 0.00000000 0.04201800 1.0 Mo Mo8 1 0.00000000 0.00000000 0.42633700 1.0 Mo Mo9 1 0.50000000 0.00000000 0.36227900 1.0 Mo Mo10 1 0.50000000 0.50000000 0.44739500 1.0 Mo Mo11 1 0.50000000 0.00000000 0.23416100 1.0 Mo Mo12 1 0.00000000 0.50000000 0.50775400 1.0 Mo Mo13 1 0.50000000 0.00000000 0.10606100 1.0 Mo Mo14 1 0.50000000 0.50000000 0.31939400 1.0 Mo Mo15 1 0.00000000 0.50000000 0.99992800 1.0 Mo Mo16 1 0.50000000 0.00000000 0.98122200 1.0 Mo Mo17 1 0.50000000 0.00000000 0.48772500 1.0 H H18 1 0.00000000 0.09675100 0.54328300 1.0 H H19 1 0.00000000 0.90324900 0.54328300 1.0 S S20 1 0.50000000 0.38550000 0.97762800 1.0 S S21 1 0.50000000 0.11856000 0.31973000 1.0 S S22 1 0.00000000 0.61816400 0.42587700 1.0 S S23 1 0.00000000 0.11858300 0.12741900 1.0 S S24 1 0.50000000 0.11835500 0.06346500 1.0 S S25 1 0.50000000 0.38124600 0.10638500 1.0 S S26 1 0.50000000 0.88144000 0.31973000 1.0 S S27 1 0.00000000 0.12026500 0.51264700 1.0 S S28 1 0.00000000 0.88141700 0.12741900 1.0 S S29 1 0.00000000 0.61865300 0.17025600 1.0 S S30 1 0.50000000 0.12177600 0.44717200 1.0 S S31 1 0.50000000 0.61875400 0.10638500 1.0 S S32 1 0.50000000 0.61450000 0.97762800 1.0 S S33 1 0.50000000 0.38139700 0.36192000 1.0 S S34 1 0.00000000 0.38183600 0.42587700 1.0 S S35 1 0.50000000 0.61865500 0.23412400 1.0 S S36 1 0.00000000 0.87973500 0.51264700 1.0 S S37 1 0.50000000 0.37859400 0.49064500 1.0 S S38 1 0.00000000 0.11850000 0.25562200 1.0 S S39 1 0.50000000 0.11853600 0.19148000 1.0 S S40 1 0.00000000 0.11840600 0.38367300 1.0 S S41 1 0.00000000 0.87924400 0.99881700 1.0 S S42 1 0.50000000 0.62140600 0.49064500 1.0 S S43 1 0.50000000 0.38134500 0.23412400 1.0 S S44 1 0.50000000 0.61860300 0.36192000 1.0 S S45 1 0.00000000 0.38148600 0.04240500 1.0 S S46 1 0.00000000 0.38134700 0.17025600 1.0 S S47 1 0.00000000 0.88150000 0.25562200 1.0 S S48 1 0.50000000 0.88164500 0.06346500 1.0 S S49 1 0.00000000 0.61864200 0.29801400 1.0 S S50 1 0.50000000 0.88146400 0.19148000 1.0 S S51 1 0.00000000 0.38135800 0.29801400 1.0 S S52 1 0.00000000 0.88159400 0.38367300 1.0 S S53 1 0.50000000 0.87822400 0.44717200 1.0 S S54 1 0.00000000 0.12075600 0.99881700 1.0 S S55 1 0.00000000 0.61851400 0.04240500 1.0