# generated using pymatgen data_Zr2Ta3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50850543 _cell_length_b 5.40031390 _cell_length_c 8.99932010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.35238426 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ta3Re _chemical_formula_sum 'Zr4 Ta6 Re2' _cell_volume 233.34065306 _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 0.33240164 0.66607528 0.43721696 1.0 Zr Zr1 1 0.66759836 0.33367263 0.93721696 1.0 Zr Zr2 1 0.66759836 0.33367263 0.56278304 1.0 Zr Zr3 1 0.33240164 0.66607528 0.06278304 1.0 Ta Ta4 1 0.65449792 0.83173919 0.75000000 1.0 Ta Ta5 1 0.34550208 0.17724127 0.25000000 1.0 Ta Ta6 1 0.83186154 0.17227263 0.25000000 1.0 Ta Ta7 1 0.16813846 0.34041009 0.75000000 1.0 Ta Ta8 1 1.00000000 0.99100430 0.50000000 1.0 Ta Ta9 1 1.00000000 0.99100430 0.00000000 1.0 Re Re10 1 0.16601001 0.83142171 0.75000000 1.0 Re Re11 1 0.83398999 0.66541170 0.25000000 1.0