# generated using pymatgen data_Ti3Zn2GaCu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18901468 _cell_length_b 5.99297371 _cell_length_c 12.55890051 _cell_angle_alpha 90.00002646 _cell_angle_beta 89.99615759 _cell_angle_gamma 89.99928064 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Zn2GaCu6 _chemical_formula_sum 'Ti6 Zn4 Ga2 Cu12' _cell_volume 315.28686173 _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 0.99998360 0.00000014 0.00011337 1.0 Ti Ti1 1 0.50020570 0.49999880 0.16652746 1.0 Ti Ti2 1 0.00020138 0.99999910 0.33356766 1.0 Ti Ti3 1 0.49999473 0.50000037 0.50056261 1.0 Ti Ti4 1 0.99982886 0.00000062 0.66613619 1.0 Ti Ti5 1 0.49979693 0.50000102 0.83307864 1.0 Zn Zn6 1 0.00017300 0.50000065 0.33417903 1.0 Zn Zn7 1 0.49999181 0.00000020 0.50028244 1.0 Zn Zn8 1 0.99985218 0.50000013 0.66643114 1.0 Zn Zn9 1 0.49981386 0.99999991 0.83248191 1.0 Ga Ga10 1 0.99997372 0.49999962 0.99901232 1.0 Ga Ga11 1 0.50023443 0.99999980 0.16759478 1.0 Cu Cu12 1 0.49996570 0.24794392 0.99874276 1.0 Cu Cu13 1 0.49999065 0.75205680 0.99874390 1.0 Cu Cu14 1 0.00036992 0.25204927 0.16782565 1.0 Cu Cu15 1 0.00034342 0.74794751 0.16782361 1.0 Cu Cu16 1 0.50035082 0.25123592 0.33465112 1.0 Cu Cu17 1 0.50040238 0.74876277 0.33465024 1.0 Cu Cu18 1 0.00002380 0.24933096 0.49998327 1.0 Cu Cu19 1 0.99994288 0.75066990 0.49998447 1.0 Cu Cu20 1 0.49962119 0.25056208 0.66680715 1.0 Cu Cu21 1 0.49970054 0.74943868 0.66680630 1.0 Cu Cu22 1 0.99964010 0.24880618 0.83200873 1.0 Cu Cu23 1 0.99959141 0.75119467 0.83200922 1.0