# generated using pymatgen data_Li2CrS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10537767 _cell_length_b 6.10537767 _cell_length_c 12.06056057 _cell_angle_alpha 85.03571951 _cell_angle_beta 85.03571951 _cell_angle_gamma 119.90550339 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CrS3 _chemical_formula_sum 'Li8 Cr4 S12' _cell_volume 383.84107085 _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 0.83544200 0.67599600 0.49882800 1.0 Li Li1 1 0.00000000 0.50000000 0.00000000 1.0 Li Li2 1 0.91486700 0.08513300 0.25000000 1.0 Li Li3 1 0.50000000 0.00000000 0.50000000 1.0 Li Li4 1 0.32400400 0.16455800 0.00117200 1.0 Li Li5 1 0.67599600 0.83544200 0.99882800 1.0 Li Li6 1 0.08513300 0.91486700 0.75000000 1.0 Li Li7 1 0.16455800 0.32400400 0.50117200 1.0 Cr Cr8 1 0.75603700 0.24396300 0.75000000 1.0 Cr Cr9 1 0.57757700 0.42242300 0.25000000 1.0 Cr Cr10 1 0.42242300 0.57757700 0.75000000 1.0 Cr Cr11 1 0.24396300 0.75603700 0.25000000 1.0 S S12 1 0.94989300 0.76567400 0.13480200 1.0 S S13 1 0.68955900 0.51136700 0.86285100 1.0 S S14 1 0.87338000 0.41109800 0.36222600 1.0 S S15 1 0.48863300 0.31044100 0.63714900 1.0 S S16 1 0.76567400 0.94989300 0.63480200 1.0 S S17 1 0.41109800 0.87338000 0.86222600 1.0 S S18 1 0.58890200 0.12662000 0.13777400 1.0 S S19 1 0.23432600 0.05010700 0.36519800 1.0 S S20 1 0.51136700 0.68955900 0.36285100 1.0 S S21 1 0.12662000 0.58890200 0.63777400 1.0 S S22 1 0.31044100 0.48863300 0.13714900 1.0 S S23 1 0.05010700 0.23432600 0.86519800 1.0