# generated using pymatgen data_Hf2Zr(SiTc)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72913159 _cell_length_b 7.72913054 _cell_length_c 7.72913062 _cell_angle_alpha 126.63988239 _cell_angle_beta 128.00422638 _cell_angle_gamma 77.73091639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Zr(SiTc)3 _chemical_formula_sum 'Hf4 Zr2 Si6 Tc6' _cell_volume 283.03598872 _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 Hf Hf0 1 0.74909331 0.85020655 0.60111324 1.0 Hf Hf1 1 0.25090669 0.85201993 0.10111324 1.0 Hf Hf2 1 0.04926628 0.25284773 0.70358045 1.0 Hf Hf3 1 0.95073372 0.65431317 0.20358045 1.0 Zr Zr4 1 0.45227577 0.65769074 0.70541497 1.0 Zr Zr5 1 0.54772423 0.25313819 0.20541497 1.0 Si Si6 1 0.25054308 0.25380707 0.50326399 1.0 Si Si7 1 0.74945692 0.25272091 0.00326399 1.0 Si Si8 1 0.33131062 0.58739382 0.25093255 1.0 Si Si9 1 0.66868938 0.91962292 0.25608519 1.0 Si Si10 1 0.16353873 0.91962292 0.75093255 1.0 Si Si11 1 0.83646127 0.58739382 0.75608519 1.0 Tc Tc12 1 0.50000000 0.50839027 0.00839027 1.0 Tc Tc13 1 1.00000000 0.50839027 0.50839027 1.0 Tc Tc14 1 0.12490906 0.25248111 0.12344729 1.0 Tc Tc15 1 0.87509094 0.99854023 0.12757405 1.0 Tc Tc16 1 0.37096518 0.99854023 0.62344729 1.0 Tc Tc17 1 0.62903482 0.25248111 0.62757405 1.0