# generated using pymatgen data_Mo4HS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14475400 _cell_length_b 13.03443800 _cell_length_c 29.66873500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo4HS8 _chemical_formula_sum 'Mo8 H2 S16' _cell_volume 1216.12444533 _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 0.50000000 0.37464000 1.0 Mo Mo1 1 0.50000000 0.00000000 0.53049800 1.0 Mo Mo2 1 0.50000000 0.50000000 0.65293200 1.0 Mo Mo3 1 0.00000000 0.00000000 0.62066000 1.0 Mo Mo4 1 0.00000000 0.00000000 0.43648900 1.0 Mo Mo5 1 0.00000000 0.50000000 0.56299800 1.0 Mo Mo6 1 0.50000000 0.00000000 0.34788400 1.0 Mo Mo7 1 0.50000000 0.50000000 0.46934600 1.0 H H8 1 0.50000000 0.90575100 0.70131400 1.0 H H9 1 0.50000000 0.09424900 0.70131400 1.0 S S10 1 0.00000000 0.87696900 0.37365100 1.0 S S11 1 0.50000000 0.61691200 0.34222600 1.0 S S12 1 0.00000000 0.37820600 0.62652000 1.0 S S13 1 0.50000000 0.88029900 0.46812500 1.0 S S14 1 0.00000000 0.87617300 0.56115900 1.0 S S15 1 0.00000000 0.62004400 0.43729000 1.0 S S16 1 0.50000000 0.38308800 0.34222600 1.0 S S17 1 0.50000000 0.11970100 0.46812500 1.0 S S18 1 0.50000000 0.87885400 0.65719900 1.0 S S19 1 0.00000000 0.62179400 0.62652000 1.0 S S20 1 0.00000000 0.12382700 0.56115900 1.0 S S21 1 0.50000000 0.12114600 0.65719900 1.0 S S22 1 0.00000000 0.37995600 0.43729000 1.0 S S23 1 0.00000000 0.12303100 0.37365100 1.0 S S24 1 0.50000000 0.61995500 0.53144200 1.0 S S25 1 0.50000000 0.38004500 0.53144200 1.0