# generated using pymatgen data_Hf4Zr(ReTc)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40030675 _cell_length_b 8.40030663 _cell_length_c 8.40030682 _cell_angle_alpha 109.47121636 _cell_angle_beta 109.47121608 _cell_angle_gamma 109.47122547 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Zr(ReTc)12 _chemical_formula_sum 'Hf4 Zr1 Re12 Tc12' _cell_volume 456.31375897 _cell_formula_units_Z 1 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 Hf Hf0 1 0.62479899 1.00000000 0.00000000 1.0 Hf Hf1 1 1.00000000 0.62479899 0.00000000 1.0 Hf Hf2 1 0.00000000 0.00000000 0.62479899 1.0 Hf Hf3 1 0.37520101 0.37520101 0.37520101 1.0 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1.0 Re Re5 1 0.37661425 0.19448312 1.00000000 1.0 Re Re6 1 0.18213213 0.80551688 0.80551688 1.0 Re Re7 1 0.37661425 1.00000000 0.19448312 1.0 Re Re8 1 0.19448312 0.37661425 1.00000000 1.0 Re Re9 1 1.00000000 0.37661425 0.19448312 1.0 Re Re10 1 0.80551688 0.18213213 0.80551688 1.0 Re Re11 1 0.80551688 0.80551688 0.18213213 1.0 Re Re12 1 0.00000000 0.19448312 0.37661425 1.0 Re Re13 1 0.19448312 0.00000000 0.37661425 1.0 Re Re14 1 0.62338575 0.62338575 0.81786787 1.0 Re Re15 1 0.81786787 0.62338575 0.62338575 1.0 Re Re16 1 0.62338575 0.81786787 0.62338575 1.0 Tc Tc17 1 0.39695421 0.67654804 0.00000000 1.0 Tc Tc18 1 0.72040817 0.32345196 0.32345196 1.0 Tc Tc19 1 0.39695421 0.00000000 0.67654804 1.0 Tc Tc20 1 0.67654804 0.39695421 0.00000000 1.0 Tc Tc21 1 0.00000000 0.39695421 0.67654804 1.0 Tc Tc22 1 0.32345196 0.72040817 0.32345196 1.0 Tc Tc23 1 0.32345196 0.32345196 0.72040817 1.0 Tc Tc24 1 0.00000000 0.67654804 0.39695421 1.0 Tc Tc25 1 0.67654804 0.00000000 0.39695421 1.0 Tc Tc26 1 0.60304579 0.60304579 0.27959183 1.0 Tc Tc27 1 0.27959183 0.60304579 0.60304579 1.0 Tc Tc28 1 0.60304579 0.27959183 0.60304579 1.0