# generated using pymatgen data_Ti3Nb2ZnGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86022530 _cell_length_b 7.86022588 _cell_length_c 5.40149499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999754 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Nb2ZnGa3 _chemical_formula_sum 'Ti6 Nb4 Zn2 Ga6' _cell_volume 289.01117901 _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 Ti Ti0 1 0.30260028 0.00000000 0.25000000 1.0 Ti Ti1 1 0.30260028 0.30260028 0.75000000 1.0 Ti Ti2 1 1.00000000 0.69739972 0.75000000 1.0 Ti Ti3 1 0.00000000 0.30260028 0.25000000 1.0 Ti Ti4 1 0.69739972 0.69739972 0.25000000 1.0 Ti Ti5 1 0.69739972 0.00000000 0.75000000 1.0 Nb Nb6 1 0.33333300 0.66666700 0.00000000 1.0 Nb Nb7 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb8 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb9 1 0.33333300 0.66666700 0.50000000 1.0 Zn Zn10 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn11 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga12 1 0.63888689 0.00000000 0.25000000 1.0 Ga Ga13 1 0.63888689 0.63888689 0.75000000 1.0 Ga Ga14 1 0.00000000 0.36111311 0.75000000 1.0 Ga Ga15 1 1.00000000 0.63888689 0.25000000 1.0 Ga Ga16 1 0.36111311 0.36111311 0.25000000 1.0 Ga Ga17 1 0.36111311 0.00000000 0.75000000 1.0