# generated using pymatgen data_Ba8Ge43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.85479511 _cell_length_b 10.85479511 _cell_length_c 10.85479511 _cell_angle_alpha 90.09617260 _cell_angle_beta 89.90382740 _cell_angle_gamma 89.90382740 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8Ge43 _chemical_formula_sum 'Ba8 Ge43' _cell_volume 1278.97794003 _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 Ba Ba0 1 0.50213920 0.49786080 0.49786080 1.0 Ba Ba1 1 0.99786080 0.00213920 0.00213920 1.0 Ba Ba2 1 0.99411133 0.75000000 0.49411133 1.0 Ba Ba3 1 0.25000000 0.49411133 0.00588867 1.0 Ba Ba4 1 0.50588867 0.00588867 0.75000000 1.0 Ba Ba5 1 0.99342135 0.25000000 0.49342135 1.0 Ba Ba6 1 0.75000000 0.49342135 0.00657865 1.0 Ba Ba7 1 0.50657865 0.00657865 0.25000000 1.0 Ge Ge8 1 0.19319984 0.49899543 0.61253520 1.0 Ge Ge9 1 0.50100457 0.61253520 0.80680016 1.0 Ge Ge10 1 0.38746480 0.80680016 0.49899543 1.0 Ge Ge11 1 0.82823219 0.49968437 0.37285592 1.0 Ge Ge12 1 0.50031563 0.37285592 0.17176781 1.0 Ge Ge13 1 0.62714408 0.17176781 0.49968437 1.0 Ge Ge14 1 0.80490700 0.49912912 0.61349673 1.0 Ge Ge15 1 0.49993147 0.37308958 0.83540802 1.0 Ge Ge16 1 0.16459198 0.50006853 0.37308958 1.0 Ge Ge17 1 0.50087088 0.61349673 0.19509300 1.0 Ge Ge18 1 0.62691042 0.83540802 0.50006853 1.0 Ge Ge19 1 0.38650327 0.19509300 0.49912912 1.0 Ge Ge20 1 0.00006853 0.66459198 0.12691042 1.0 Ge Ge21 1 0.11349673 0.00087088 0.30490700 1.0 Ge Ge22 1 0.30680016 0.88746480 0.00100457 1.0 Ge Ge23 1 0.99912912 0.30490700 0.88650327 1.0 Ge Ge24 1 0.87308958 0.99993147 0.66459198 1.0 Ge Ge25 1 0.67176781 0.12714408 0.00031563 1.0 Ge Ge26 1 0.99968437 0.32823219 0.12714408 1.0 Ge Ge27 1 0.87285592 0.00031563 0.32823219 1.0 Ge Ge28 1 0.99899543 0.69319984 0.88746480 1.0 Ge Ge29 1 0.11253520 0.00100457 0.69319984 1.0 Ge Ge30 1 0.33540802 0.12691042 0.99993147 1.0 Ge Ge31 1 0.69509300 0.88650327 0.00087088 1.0 Ge Ge32 1 0.31568828 0.68431172 0.68431172 1.0 Ge Ge33 1 0.68261691 0.31738309 0.31738309 1.0 Ge Ge34 1 0.67764498 0.31288689 0.68556276 1.0 Ge Ge35 1 0.31024452 0.67975935 0.31754107 1.0 Ge Ge36 1 0.68711311 0.68556276 0.32235502 1.0 Ge Ge37 1 0.32024065 0.31754107 0.68975548 1.0 Ge Ge38 1 0.31443724 0.32235502 0.31288689 1.0 Ge Ge39 1 0.68245893 0.68975548 0.67975935 1.0 Ge Ge40 1 0.17975935 0.81024452 0.18245893 1.0 Ge Ge41 1 0.81288689 0.17764498 0.81443724 1.0 Ge Ge42 1 0.81738309 0.18261691 0.18261691 1.0 Ge Ge43 1 0.18431172 0.81568828 0.81568828 1.0 Ge Ge44 1 0.18975548 0.18245893 0.82024065 1.0 Ge Ge45 1 0.82235502 0.81443724 0.18711311 1.0 Ge Ge46 1 0.81754107 0.82024065 0.81024452 1.0 Ge Ge47 1 0.18556276 0.18711311 0.17764498 1.0 Ge Ge48 1 0.50002881 0.75000000 0.00002881 1.0 Ge Ge49 1 0.25000000 0.00002881 0.49997119 1.0 Ge Ge50 1 -0.00002881 0.49997119 0.75000000 1.0