# generated using pymatgen data_Ta7GaS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75852206 _cell_length_b 5.75852175 _cell_length_c 13.59030884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000175 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta7GaS12 _chemical_formula_sum 'Ta7 Ga1 S12' _cell_volume 390.28512292 _cell_formula_units_Z 1 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 0.51882966 1.0 Ta Ta1 1 0.00000000 0.00000000 0.98117034 1.0 Ta Ta2 1 0.33333300 0.66666700 0.97958990 1.0 Ta Ta3 1 0.66666700 0.33333300 0.98310645 1.0 Ta Ta4 1 0.66666700 0.33333300 0.51689355 1.0 Ta Ta5 1 0.33333300 0.66666700 0.52041010 1.0 Ta Ta6 1 0.66666700 0.33333300 0.75000000 1.0 Ga Ga7 1 0.33333300 0.66666700 0.25000000 1.0 S S8 1 0.33179279 0.33477098 0.40425549 1.0 S S9 1 0.66522902 0.99702181 0.40425549 1.0 S S10 1 0.00297819 0.66820721 0.40425549 1.0 S S11 1 0.33339142 0.33229837 0.63563204 1.0 S S12 1 0.99890595 0.66660858 0.63563204 1.0 S S13 1 0.66770163 0.00109405 0.63563204 1.0 S S14 1 0.66770163 0.66660858 0.86436796 1.0 S S15 1 0.33339142 0.00109405 0.86436796 1.0 S S16 1 0.99890595 0.33229837 0.86436796 1.0 S S17 1 0.66522902 0.66820721 0.09574451 1.0 S S18 1 0.00297819 0.33477098 0.09574451 1.0 S S19 1 0.33179279 0.99702181 0.09574451 1.0