# generated using pymatgen data_Ti10Ga6S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67937145 _cell_length_b 7.67937168 _cell_length_c 5.33822303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000749 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti10Ga6S _chemical_formula_sum 'Ti10 Ga6 S1' _cell_volume 272.63315939 _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 Ti Ti0 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti1 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti2 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti3 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti4 1 0.74961800 0.74961800 0.23795384 1.0 Ti Ti5 1 0.25038200 0.00000000 0.23795384 1.0 Ti Ti6 1 0.00000000 0.25038200 0.23795384 1.0 Ti Ti7 1 0.25038200 0.25038200 0.76204616 1.0 Ti Ti8 1 0.74961800 1.00000000 0.76204616 1.0 Ti Ti9 1 1.00000000 0.74961800 0.76204616 1.0 Ga Ga10 1 0.39526992 0.39526992 0.24827796 1.0 Ga Ga11 1 0.60473008 1.00000000 0.24827796 1.0 Ga Ga12 1 1.00000000 0.60473008 0.24827796 1.0 Ga Ga13 1 0.60473008 0.60473008 0.75172204 1.0 Ga Ga14 1 0.39526992 0.00000000 0.75172204 1.0 Ga Ga15 1 0.00000000 0.39526992 0.75172204 1.0 S S16 1 0.00000000 0.00000000 0.50000000 1.0