# generated using pymatgen data_Zr3Al(CdCu3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45783206 _cell_length_b 6.31552545 _cell_length_c 13.35235551 _cell_angle_alpha 89.99947790 _cell_angle_beta 90.00199411 _cell_angle_gamma 89.99999771 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Al(CdCu3)2 _chemical_formula_sum 'Zr6 Al2 Cd4 Cu12' _cell_volume 375.91623340 _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 0.99994682 0.00000594 0.99606644 1.0 Zr Zr1 1 0.49999802 0.50003848 0.16299137 1.0 Zr Zr2 1 0.00004290 0.00003334 0.33704639 1.0 Zr Zr3 1 0.50007307 0.49998904 0.50386053 1.0 Zr Zr4 1 0.99998986 0.99997217 0.66735549 1.0 Zr Zr5 1 0.49996087 0.49996517 0.83261307 1.0 Al Al6 1 0.99997315 0.49996968 0.66882495 1.0 Al Al7 1 0.49989231 0.99997099 0.83116632 1.0 Cd Cd8 1 0.99991345 0.50000608 0.99873714 1.0 Cd Cd9 1 0.50002349 0.00002702 0.16646082 1.0 Cd Cd10 1 0.00005873 0.50002414 0.33353583 1.0 Cd Cd11 1 0.50004410 0.00000438 0.50124248 1.0 Cu Cu12 1 0.49994156 0.23714895 0.99256672 1.0 Cu Cu13 1 0.49994271 0.76286289 0.99252172 1.0 Cu Cu14 1 0.00003240 0.24587036 0.16697246 1.0 Cu Cu15 1 0.00003307 0.75414934 0.16696759 1.0 Cu Cu16 1 0.50003258 0.25408863 0.33305288 1.0 Cu Cu17 1 0.50002679 0.74592539 0.33305056 1.0 Cu Cu18 1 0.00007225 0.26289622 0.50754067 1.0 Cu Cu19 1 0.00007192 0.73709908 0.50750606 1.0 Cu Cu20 1 0.49999269 0.25452932 0.67116265 1.0 Cu Cu21 1 0.49998577 0.74544286 0.67116393 1.0 Cu Cu22 1 0.99997819 0.24545144 0.82879686 1.0 Cu Cu23 1 0.99998431 0.75453011 0.82880106 1.0