# generated using pymatgen data_Ta6GaMoS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77343248 _cell_length_b 5.77343216 _cell_length_c 13.61769483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000184 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6GaMoS12 _chemical_formula_sum 'Ta6 Ga1 Mo1 S12' _cell_volume 393.09939892 _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 0.52450143 1.0 Ta Ta1 1 0.00000000 0.00000000 0.97549857 1.0 Ta Ta2 1 0.33333300 0.66666700 0.97473199 1.0 Ta Ta3 1 0.66666700 0.33333300 0.97684786 1.0 Ta Ta4 1 0.66666700 0.33333300 0.52315214 1.0 Ta Ta5 1 0.33333300 0.66666700 0.52526801 1.0 Ga Ga6 1 0.33333300 0.66666700 0.25000000 1.0 Mo Mo7 1 0.66666700 0.33333300 0.75000000 1.0 S S8 1 0.33161992 0.33377317 0.40991864 1.0 S S9 1 0.66622683 0.99784675 0.40991864 1.0 S S10 1 0.00215325 0.66838008 0.40991864 1.0 S S11 1 0.33172459 0.33272294 0.63908820 1.0 S S12 1 0.00099935 0.66827541 0.63908820 1.0 S S13 1 0.66727706 0.99900065 0.63908820 1.0 S S14 1 0.66727706 0.66827541 0.86091180 1.0 S S15 1 0.33172459 0.99900065 0.86091180 1.0 S S16 1 0.00099935 0.33272294 0.86091180 1.0 S S17 1 0.66622683 0.66838008 0.09008136 1.0 S S18 1 0.00215325 0.33377317 0.09008136 1.0 S S19 1 0.33161992 0.99784675 0.09008136 1.0