# generated using pymatgen data_Pa2Ta2TiGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12495171 _cell_length_b 7.04537686 _cell_length_c 7.15159991 _cell_angle_alpha 69.97491971 _cell_angle_beta 89.97815363 _cell_angle_gamma 90.05169804 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Ta2TiGe4 _chemical_formula_sum 'Pa4 Ta4 Ti2 Ge8' _cell_volume 337.29169412 _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 Pa Pa0 1 0.67007856 0.94192692 0.69016539 1.0 Pa Pa1 1 0.32992144 0.05807308 0.30983461 1.0 Pa Pa2 1 0.17207011 0.55822069 0.31256482 1.0 Pa Pa3 1 0.82792989 0.44177931 0.68743518 1.0 Ta Ta4 1 0.66487348 0.74628640 0.25110105 1.0 Ta Ta5 1 0.33512652 0.25371360 0.74889895 1.0 Ta Ta6 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta7 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti8 1 0.16440134 0.75437338 0.74820746 1.0 Ti Ti9 1 0.83559866 0.24562662 0.25179254 1.0 Ge Ge10 1 0.95533985 0.85551183 0.41433677 1.0 Ge Ge11 1 0.04466015 0.14448817 0.58566323 1.0 Ge Ge12 1 0.45100999 0.64674557 0.58754622 1.0 Ge Ge13 1 0.54899001 0.35325443 0.41245378 1.0 Ge Ge14 1 0.86804436 0.63144937 0.00100156 1.0 Ge Ge15 1 0.13195564 0.36855063 0.99899844 1.0 Ge Ge16 1 0.36463059 0.86612231 0.99552303 1.0 Ge Ge17 1 0.63536941 0.13387769 0.00447697 1.0