# generated using pymatgen data_Mo6PbS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56606500 _cell_length_b 6.66054979 _cell_length_c 6.69145192 _cell_angle_alpha 90.64104087 _cell_angle_beta 90.29033962 _cell_angle_gamma 91.06091711 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo6PbS8 _chemical_formula_sum 'Mo6 Pb1 S8' _cell_volume 292.56875027 _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 Mo Mo0 1 0.56262600 0.58070800 0.22742500 1.0 Mo Mo1 1 0.43737400 0.41929200 0.77257500 1.0 Mo Mo2 1 0.23573200 0.43886100 0.41994100 1.0 Mo Mo3 1 0.76426800 0.56113900 0.58005900 1.0 Mo Mo4 1 0.41784100 0.77193100 0.56160200 1.0 Mo Mo5 1 0.58215900 0.22806900 0.43839800 1.0 Pb Pb6 1 0.00000000 0.00000000 0.00000000 1.0 S S7 1 0.37985900 0.26165900 0.12684700 1.0 S S8 1 0.62014100 0.73834100 0.87315300 1.0 S S9 1 0.24918100 0.75743000 0.24503100 1.0 S S10 1 0.75081900 0.24257000 0.75496900 1.0 S S11 1 0.73563500 0.87284500 0.37651600 1.0 S S12 1 0.26436500 0.12715500 0.62348400 1.0 S S13 1 0.12792100 0.62101900 0.73847900 1.0 S S14 1 0.87207900 0.37898100 0.26152100 1.0