# generated using pymatgen data_Hg(Mo3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58901298 _cell_length_b 6.58901298 _cell_length_c 6.58901335 _cell_angle_alpha 92.93030618 _cell_angle_beta 92.93030618 _cell_angle_gamma 92.93031235 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg(Mo3S4)2 _chemical_formula_sum 'Hg1 Mo6 S8' _cell_volume 284.90065779 _cell_formula_units_Z 1 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 Hg Hg0 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo1 1 0.40761900 0.21946400 0.55366600 1.0 Mo Mo2 1 0.21946400 0.55366600 0.40761900 1.0 Mo Mo3 1 0.55366600 0.40761900 0.21946400 1.0 Mo Mo4 1 0.59238100 0.78053600 0.44633400 1.0 Mo Mo5 1 0.78053600 0.44633400 0.59238100 1.0 Mo Mo6 1 0.44633400 0.59238100 0.78053600 1.0 S S7 1 0.22692800 0.22692800 0.22692800 1.0 S S8 1 0.77307200 0.77307200 0.77307200 1.0 S S9 1 0.38162200 0.72196800 0.13221400 1.0 S S10 1 0.72196800 0.13221400 0.38162200 1.0 S S11 1 0.13221400 0.38162200 0.72196800 1.0 S S12 1 0.61837800 0.27803200 0.86778600 1.0 S S13 1 0.27803200 0.86778600 0.61837800 1.0 S S14 1 0.86778600 0.61837800 0.27803200 1.0