# generated using pymatgen data_Zr2AlRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25781280 _cell_length_b 5.25781283 _cell_length_c 8.63829775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998742 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2AlRe3 _chemical_formula_sum 'Zr4 Al2 Re6' _cell_volume 206.80883953 _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 0.33333300 0.66666700 0.43409476 1.0 Zr Zr1 1 0.66666700 0.33333300 0.93409476 1.0 Zr Zr2 1 0.66666700 0.33333300 0.56590524 1.0 Zr Zr3 1 0.33333300 0.66666700 0.06590524 1.0 Al Al4 1 0.00000000 0.00000000 0.00000000 1.0 Al Al5 1 0.00000000 0.00000000 0.50000000 1.0 Re Re6 1 0.17042118 0.34084135 0.75000000 1.0 Re Re7 1 0.82957882 0.17042118 0.25000000 1.0 Re Re8 1 0.34084135 0.17042118 0.25000000 1.0 Re Re9 1 0.65915865 0.82957882 0.75000000 1.0 Re Re10 1 0.82957882 0.65915865 0.25000000 1.0 Re Re11 1 0.17042118 0.82957882 0.75000000 1.0