# generated using pymatgen data_InMo12PbS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37207046 _cell_length_b 9.37207046 _cell_length_c 9.37207017 _cell_angle_alpha 59.25270260 _cell_angle_beta 59.25270260 _cell_angle_gamma 59.25269787 _symmetry_Int_Tables_number 1 _chemical_formula_structural InMo12PbS16 _chemical_formula_sum 'In1 Mo12 Pb1 S16' _cell_volume 572.18428340 _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 In In0 1 0.50000000 0.50000000 0.50000000 1.0 Mo Mo1 1 0.18586800 0.37631100 0.03830200 1.0 Mo Mo2 1 0.68497800 0.87590600 0.53977200 1.0 Mo Mo3 1 0.37631100 0.03830200 0.18586800 1.0 Mo Mo4 1 0.87590600 0.53977200 0.68497800 1.0 Mo Mo5 1 0.03830200 0.18586800 0.37631100 1.0 Mo Mo6 1 0.53977200 0.68497800 0.87590600 1.0 Mo Mo7 1 0.31502200 0.12409400 0.46022800 1.0 Mo Mo8 1 0.81413200 0.62368900 0.96169800 1.0 Mo Mo9 1 0.12409400 0.46022800 0.31502200 1.0 Mo Mo10 1 0.62368900 0.96169800 0.81413200 1.0 Mo Mo11 1 0.46022800 0.31502200 0.12409400 1.0 Mo Mo12 1 0.96169800 0.81413200 0.62368900 1.0 Pb Pb13 1 0.00000000 0.00000000 0.00000000 1.0 S S14 1 0.12168500 0.12168500 0.12168500 1.0 S S15 1 0.62120600 0.62120600 0.62120600 1.0 S S16 1 0.37879400 0.37879400 0.37879400 1.0 S S17 1 0.87831500 0.87831500 0.87831500 1.0 S S18 1 0.24168900 0.88564900 0.49712300 1.0 S S19 1 0.74142300 0.38484900 0.99820600 1.0 S S20 1 0.88564900 0.49712300 0.24168900 1.0 S S21 1 0.38484900 0.99820600 0.74142300 1.0 S S22 1 0.49712300 0.24168900 0.88564900 1.0 S S23 1 0.99820600 0.74142300 0.38484900 1.0 S S24 1 0.25857700 0.61515100 0.00179400 1.0 S S25 1 0.75831100 0.11435100 0.50287700 1.0 S S26 1 0.61515100 0.00179400 0.25857700 1.0 S S27 1 0.11435100 0.50287700 0.75831100 1.0 S S28 1 0.00179400 0.25857700 0.61515100 1.0 S S29 1 0.50287700 0.75831100 0.11435100 1.0