# generated using pymatgen data_Li7CuSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90307900 _cell_length_b 4.39138700 _cell_length_c 17.15721900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7CuSi2 _chemical_formula_sum 'Li28 Cu4 Si8' _cell_volume 595.44949308 _cell_formula_units_Z 4 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 Li Li0 1 0.03034600 0.25000000 0.81797700 1.0 Li Li1 1 0.53034600 0.25000000 0.68202300 1.0 Li Li2 1 0.96965400 0.75000000 0.18202300 1.0 Li Li3 1 0.46965400 0.75000000 0.31797700 1.0 Li Li4 1 0.05349300 0.25000000 0.96686500 1.0 Li Li5 1 0.55349300 0.25000000 0.53313500 1.0 Li Li6 1 0.94650700 0.75000000 0.03313500 1.0 Li Li7 1 0.44650700 0.75000000 0.46686500 1.0 Li Li8 1 0.30920300 0.25000000 0.25684100 1.0 Li Li9 1 0.80920300 0.25000000 0.24315900 1.0 Li Li10 1 0.69079700 0.75000000 0.74315900 1.0 Li Li11 1 0.19079700 0.75000000 0.75684100 1.0 Li Li12 1 0.35517300 0.25000000 0.81064200 1.0 Li Li13 1 0.85517300 0.25000000 0.68935800 1.0 Li Li14 1 0.64482700 0.75000000 0.18935800 1.0 Li Li15 1 0.14482700 0.75000000 0.31064200 1.0 Li Li16 1 0.38939900 0.25000000 0.95680200 1.0 Li Li17 1 0.88939900 0.25000000 0.54319800 1.0 Li Li18 1 0.61060100 0.75000000 0.04319800 1.0 Li Li19 1 0.11060100 0.75000000 0.45680200 1.0 Li Li20 1 0.47621900 0.25000000 0.12131800 1.0 Li Li21 1 0.97621900 0.25000000 0.37868200 1.0 Li Li22 1 0.52378100 0.75000000 0.87868200 1.0 Li Li23 1 0.02378100 0.75000000 0.62131800 1.0 Li Li24 1 0.63797700 0.25000000 0.37959500 1.0 Li Li25 1 0.13797700 0.25000000 0.12040500 1.0 Li Li26 1 0.36202300 0.75000000 0.62040500 1.0 Li Li27 1 0.86202300 0.75000000 0.87959500 1.0 Cu Cu28 1 0.22510100 0.25000000 0.53772300 1.0 Cu Cu29 1 0.72510100 0.25000000 0.96227700 1.0 Cu Cu30 1 0.77489900 0.75000000 0.46227700 1.0 Cu Cu31 1 0.27489900 0.75000000 0.03772300 1.0 Si Si32 1 0.18787400 0.25000000 0.67118200 1.0 Si Si33 1 0.68787400 0.25000000 0.82881800 1.0 Si Si34 1 0.81212600 0.75000000 0.32881800 1.0 Si Si35 1 0.31212600 0.75000000 0.17118200 1.0 Si Si36 1 0.30294500 0.25000000 0.40687900 1.0 Si Si37 1 0.80294500 0.25000000 0.09312100 1.0 Si Si38 1 0.69705500 0.75000000 0.59312100 1.0 Si Si39 1 0.19705500 0.75000000 0.90687900 1.0