# generated using pymatgen data_Hf2Ti3Ge4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75989444 _cell_length_b 6.86155236 _cell_length_c 12.99726127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ti3Ge4 _chemical_formula_sum 'Hf8 Ti12 Ge16' _cell_volume 602.85677345 _cell_formula_units_Z 4 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 0.48959765 0.67623163 0.59417139 1.0 Hf Hf1 1 0.98959765 0.82376837 0.90582861 1.0 Hf Hf2 1 0.51040235 0.32376837 0.09417139 1.0 Hf Hf3 1 0.01040235 0.17623163 0.40582861 1.0 Hf Hf4 1 0.51040235 0.32376837 0.40582861 1.0 Hf Hf5 1 0.01040235 0.17623163 0.09417139 1.0 Hf Hf6 1 0.48959765 0.67623163 0.90582861 1.0 Hf Hf7 1 0.98959765 0.82376837 0.59417139 1.0 Ti Ti8 1 0.65388161 0.16698496 0.62575645 1.0 Ti Ti9 1 0.15388161 0.33301504 0.87424355 1.0 Ti Ti10 1 0.34611839 0.83301504 0.12575645 1.0 Ti Ti11 1 0.84611839 0.66698496 0.37424355 1.0 Ti Ti12 1 0.34611839 0.83301504 0.37424355 1.0 Ti Ti13 1 0.84611839 0.66698496 0.12575645 1.0 Ti Ti14 1 0.65388161 0.16698496 0.87424355 1.0 Ti Ti15 1 0.15388161 0.33301504 0.62575645 1.0 Ti Ti16 1 0.82797395 0.49665165 0.75000000 1.0 Ti Ti17 1 0.32797395 0.00334835 0.75000000 1.0 Ti Ti18 1 0.17202605 0.50334835 0.25000000 1.0 Ti Ti19 1 0.67202605 0.99665165 0.25000000 1.0 Ge Ge20 1 0.68526078 0.95944307 0.45951242 1.0 Ge Ge21 1 0.18526078 0.54055693 0.04048758 1.0 Ge Ge22 1 0.31473922 0.04055693 0.95951242 1.0 Ge Ge23 1 0.81473922 0.45944307 0.54048758 1.0 Ge Ge24 1 0.31473922 0.04055693 0.54048758 1.0 Ge Ge25 1 0.81473922 0.45944307 0.95951242 1.0 Ge Ge26 1 0.68526078 0.95944307 0.04048758 1.0 Ge Ge27 1 0.18526078 0.54055693 0.45951242 1.0 Ge Ge28 1 0.45626026 0.37992853 0.75000000 1.0 Ge Ge29 1 0.95626026 0.12007147 0.75000000 1.0 Ge Ge30 1 0.54373974 0.62007147 0.25000000 1.0 Ge Ge31 1 0.04373974 0.87992853 0.25000000 1.0 Ge Ge32 1 0.68730035 0.85588505 0.75000000 1.0 Ge Ge33 1 0.18730035 0.64411495 0.75000000 1.0 Ge Ge34 1 0.31269965 0.14411495 0.25000000 1.0 Ge Ge35 1 0.81269965 0.35588505 0.25000000 1.0