# generated using pymatgen data_Li2CuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90745700 _cell_length_b 7.90745700 _cell_length_c 5.83758300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CuS2 _chemical_formula_sum 'Li8 Cu4 S8' _cell_volume 365.01166717 _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 0.25558200 0.25558200 0.50000000 1.0 Li Li1 1 0.74441800 0.25558200 0.50000000 1.0 Li Li2 1 0.25558200 0.74441800 0.50000000 1.0 Li Li3 1 0.74441800 0.74441800 0.50000000 1.0 Li Li4 1 0.75558200 0.75558200 0.00000000 1.0 Li Li5 1 0.24441800 0.75558200 0.00000000 1.0 Li Li6 1 0.75558200 0.24441800 0.00000000 1.0 Li Li7 1 0.24441800 0.24441800 0.00000000 1.0 Cu Cu8 1 0.00000000 0.50000000 0.00689300 1.0 Cu Cu9 1 0.00000000 0.50000000 0.50689300 1.0 Cu Cu10 1 0.50000000 0.00000000 0.99310700 1.0 Cu Cu11 1 0.50000000 0.00000000 0.49310700 1.0 S S12 1 0.00000000 0.27454000 0.25882100 1.0 S S13 1 0.77454000 0.50000000 0.75882100 1.0 S S14 1 0.22546000 0.50000000 0.75882100 1.0 S S15 1 0.00000000 0.72546000 0.25882100 1.0 S S16 1 0.50000000 0.77454000 0.24117900 1.0 S S17 1 0.27454000 0.00000000 0.74117900 1.0 S S18 1 0.72546000 0.00000000 0.74117900 1.0 S S19 1 0.50000000 0.22546000 0.24117900 1.0