# generated using pymatgen data_Li6CrS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16322700 _cell_length_b 8.16322700 _cell_length_c 5.63560300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6CrS4 _chemical_formula_sum 'Li12 Cr2 S8' _cell_volume 375.54686281 _cell_formula_units_Z 2 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 0.27659600 0.27659600 0.50000000 1.0 Li Li1 1 0.72340400 0.27659600 0.50000000 1.0 Li Li2 1 0.00000000 0.50000000 0.44878900 1.0 Li Li3 1 0.00000000 0.50000000 0.94878900 1.0 Li Li4 1 0.27659600 0.72340400 0.50000000 1.0 Li Li5 1 0.72340400 0.72340400 0.50000000 1.0 Li Li6 1 0.77659600 0.77659600 0.00000000 1.0 Li Li7 1 0.22340400 0.77659600 0.00000000 1.0 Li Li8 1 0.50000000 0.00000000 0.05121100 1.0 Li Li9 1 0.50000000 0.00000000 0.55121100 1.0 Li Li10 1 0.77659600 0.22340400 0.00000000 1.0 Li Li11 1 0.22340400 0.22340400 0.00000000 1.0 Cr Cr12 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr13 1 0.00000000 0.00000000 0.50000000 1.0 S S14 1 0.00000000 0.25949500 0.70000000 1.0 S S15 1 0.75949500 0.50000000 0.20000000 1.0 S S16 1 0.24050500 0.50000000 0.20000000 1.0 S S17 1 0.00000000 0.74050500 0.70000000 1.0 S S18 1 0.50000000 0.75949500 0.80000000 1.0 S S19 1 0.74050500 0.00000000 0.30000000 1.0 S S20 1 0.25949500 0.00000000 0.30000000 1.0 S S21 1 0.50000000 0.24050500 0.80000000 1.0