# generated using pymatgen data_Zr4NbAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33163200 _cell_length_b 8.18324973 _cell_length_c 8.19400768 _cell_angle_alpha 95.81249782 _cell_angle_beta 108.98600157 _cell_angle_gamma 70.98808128 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4NbAl3 _chemical_formula_sum 'Zr8 Nb2 Al6' _cell_volume 319.61109284 _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 0.92513300 0.29428000 0.14454700 1.0 Zr Zr1 1 0.07486700 0.70572000 0.85545300 1.0 Zr Zr2 1 0.72001300 0.70250300 0.14252900 1.0 Zr Zr3 1 0.27998700 0.29749700 0.85747100 1.0 Zr Zr4 1 0.77848900 0.14043400 0.69741100 1.0 Zr Zr5 1 0.22151100 0.85956600 0.30258900 1.0 Zr Zr6 1 0.24980400 0.50000000 0.50000000 1.0 Zr Zr7 1 0.75019600 0.50000000 0.50000000 1.0 Nb Nb8 1 0.42296400 0.86446000 0.71038700 1.0 Nb Nb9 1 0.57703600 0.13554000 0.28961300 1.0 Al Al10 1 0.25218900 0.00000000 0.00000000 1.0 Al Al11 1 0.74781100 0.00000000 0.00000000 1.0 Al Al12 1 0.33968000 0.49352500 0.17288400 1.0 Al Al13 1 0.66032000 0.50647500 0.82711600 1.0 Al Al14 1 0.83263800 0.83373800 0.49901500 1.0 Al Al15 1 0.16736200 0.16626200 0.50098500 1.0