# generated using pymatgen data_Ta4CrS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64814407 _cell_length_b 6.64814331 _cell_length_c 12.13498224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999384 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4CrS8 _chemical_formula_sum 'Ta8 Cr2 S16' _cell_volume 464.48382870 _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 Ta Ta0 1 0.00000000 0.00000000 0.25000000 1.0 Ta Ta1 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta2 1 0.50648728 0.01297356 0.25000000 1.0 Ta Ta3 1 0.49351272 0.98702644 0.75000000 1.0 Ta Ta4 1 0.98702644 0.49351272 0.25000000 1.0 Ta Ta5 1 0.01297356 0.50648728 0.75000000 1.0 Ta Ta6 1 0.50648728 0.49351272 0.25000000 1.0 Ta Ta7 1 0.49351272 0.50648728 0.75000000 1.0 Cr Cr8 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr9 1 0.00000000 0.00000000 0.50000000 1.0 S S10 1 0.33333300 0.66666700 0.61829913 1.0 S S11 1 0.66666700 0.33333300 0.38170087 1.0 S S12 1 0.66666700 0.33333300 0.11829913 1.0 S S13 1 0.33333300 0.66666700 0.88170087 1.0 S S14 1 0.16675748 0.33351496 0.12167493 1.0 S S15 1 0.83324252 0.66648504 0.87832507 1.0 S S16 1 0.66648504 0.83324252 0.12167493 1.0 S S17 1 0.83324252 0.66648504 0.62167493 1.0 S S18 1 0.33351496 0.16675748 0.87832507 1.0 S S19 1 0.16675748 0.33351496 0.37832507 1.0 S S20 1 0.16675748 0.83324252 0.12167493 1.0 S S21 1 0.33351496 0.16675748 0.62167493 1.0 S S22 1 0.83324252 0.16675748 0.87832507 1.0 S S23 1 0.66648504 0.83324252 0.37832507 1.0 S S24 1 0.83324252 0.16675748 0.62167493 1.0 S S25 1 0.16675748 0.83324252 0.37832507 1.0