# generated using pymatgen data_Zr2(TiGa)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58267300 _cell_length_b 7.84072446 _cell_length_c 7.84072393 _cell_angle_alpha 59.96092385 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2(TiGa)3 _chemical_formula_sum 'Zr4 Ti6 Ga6' _cell_volume 297.10778760 _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 Zr Zr0 1 0.50000000 0.33335000 0.33333100 1.0 Zr Zr1 1 0.50000000 0.66666900 0.66665000 1.0 Zr Zr2 1 0.00000000 0.66665000 0.66666900 1.0 Zr Zr3 1 0.00000000 0.33333100 0.33335000 1.0 Ti Ti4 1 0.74999800 0.23425900 0.76574100 1.0 Ti Ti5 1 0.75000100 0.76532300 0.99994300 1.0 Ti Ti6 1 0.75000100 0.00005700 0.23467700 1.0 Ti Ti7 1 0.24999800 0.76574100 0.23425900 1.0 Ti Ti8 1 0.25000100 0.23467700 0.00005700 1.0 Ti Ti9 1 0.25000100 0.99994300 0.76532300 1.0 Ga Ga10 1 0.74999000 0.61644700 0.38355300 1.0 Ga Ga11 1 0.75000500 0.38357600 0.00010000 1.0 Ga Ga12 1 0.75000500 0.99990000 0.61642400 1.0 Ga Ga13 1 0.24999000 0.38355300 0.61644700 1.0 Ga Ga14 1 0.25000500 0.61642400 0.99990000 1.0 Ga Ga15 1 0.25000500 0.00010000 0.38357600 1.0