# generated using pymatgen data_Cu4Sn7S16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.95337209 _cell_length_b 12.95337209 _cell_length_c 12.95337184 _cell_angle_alpha 33.30607455 _cell_angle_beta 33.30607455 _cell_angle_gamma 33.30607442 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4Sn7S16 _chemical_formula_sum 'Cu4 Sn7 S16' _cell_volume 583.49023669 _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 Cu Cu0 1 0.00021800 0.00021800 0.00021800 1.0 Cu Cu1 1 0.70581600 0.70581600 0.70581600 1.0 Cu Cu2 1 0.29455500 0.29455500 0.29455500 1.0 Cu Cu3 1 0.18825100 0.18825100 0.18825100 1.0 Sn Sn4 1 0.24519900 0.75435300 0.75435300 1.0 Sn Sn5 1 0.75435300 0.75435300 0.24519900 1.0 Sn Sn6 1 0.75435300 0.24519900 0.75435300 1.0 Sn Sn7 1 0.49758700 0.49758700 0.49758700 1.0 Sn Sn8 1 0.25037400 0.74680800 0.25037400 1.0 Sn Sn9 1 0.74680800 0.25037400 0.25037400 1.0 Sn Sn10 1 0.25037400 0.25037400 0.74680800 1.0 S S11 1 0.87651500 0.87651500 0.87651500 1.0 S S12 1 0.35874800 0.88378100 0.88378000 1.0 S S13 1 0.88378000 0.88378100 0.35874800 1.0 S S14 1 0.88378000 0.35874800 0.88378000 1.0 S S15 1 0.62345800 0.62345800 0.62345800 1.0 S S16 1 0.38010500 0.86560900 0.38010500 1.0 S S17 1 0.86560900 0.38010500 0.38010500 1.0 S S18 1 0.38010500 0.38010500 0.86560900 1.0 S S19 1 0.13315700 0.61991700 0.61991700 1.0 S S20 1 0.61991700 0.61991700 0.13315700 1.0 S S21 1 0.61991700 0.13315700 0.61991700 1.0 S S22 1 0.37504100 0.37504100 0.37504100 1.0 S S23 1 0.11834200 0.63915400 0.11834200 1.0 S S24 1 0.63915400 0.11834200 0.11834200 1.0 S S25 1 0.11834200 0.11834200 0.63915400 1.0 S S26 1 0.12453900 0.12453900 0.12453900 1.0