# generated using pymatgen data_Zr8Ti11NbGe16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80602245 _cell_length_b 6.92004859 _cell_length_c 13.07672225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.03004338 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ti11NbGe16 _chemical_formula_sum 'Zr8 Ti11 Nb1 Ge16' _cell_volume 615.88745937 _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 Zr Zr0 1 0.49055900 0.67562868 0.09481906 1.0 Zr Zr1 1 0.99197083 0.82623604 0.40477968 1.0 Zr Zr2 1 0.50865972 0.32529968 0.59470911 1.0 Zr Zr3 1 0.00796288 0.17491442 0.90526723 1.0 Zr Zr4 1 0.50865972 0.32529968 0.90529089 1.0 Zr Zr5 1 0.00796288 0.17491442 0.59473277 1.0 Zr Zr6 1 0.49055900 0.67562868 0.40518094 1.0 Zr Zr7 1 0.99197083 0.82623604 0.09522032 1.0 Ti Ti8 1 0.82966695 0.49518891 0.25000000 1.0 Ti Ti9 1 0.66991347 0.99713453 0.75000000 1.0 Ti Ti10 1 0.17037238 0.50402938 0.75000000 1.0 Ti Ti11 1 0.65558211 0.16652559 0.12503615 1.0 Ti Ti12 1 0.15826998 0.33179125 0.37507422 1.0 Ti Ti13 1 0.34296569 0.83256410 0.62648760 1.0 Ti Ti14 1 0.84403468 0.66681275 0.87430032 1.0 Ti Ti15 1 0.34296569 0.83256410 0.87351240 1.0 Ti Ti16 1 0.84403468 0.66681275 0.62569968 1.0 Ti Ti17 1 0.65558211 0.16652559 0.37496385 1.0 Ti Ti18 1 0.15826998 0.33179125 0.12492578 1.0 Nb Nb19 1 0.32957748 0.00421341 0.25000000 1.0 Ge Ge20 1 0.69469984 0.85598882 0.25000000 1.0 Ge Ge21 1 0.18786548 0.63625152 0.25000000 1.0 Ge Ge22 1 0.30992550 0.14189499 0.75000000 1.0 Ge Ge23 1 0.81039084 0.35884887 0.75000000 1.0 Ge Ge24 1 0.68178945 0.95836583 0.95871752 1.0 Ge Ge25 1 0.18204053 0.54173317 0.54084738 1.0 Ge Ge26 1 0.31780695 0.04165189 0.46175640 1.0 Ge Ge27 1 0.81802016 0.45909135 0.04079589 1.0 Ge Ge28 1 0.31780695 0.04165189 0.03824360 1.0 Ge Ge29 1 0.81802016 0.45909135 0.45920411 1.0 Ge Ge30 1 0.68178945 0.95836583 0.54128248 1.0 Ge Ge31 1 0.18204053 0.54173317 0.95915262 1.0 Ge Ge32 1 0.46047040 0.37987938 0.25000000 1.0 Ge Ge33 1 0.95525955 0.12503403 0.25000000 1.0 Ge Ge34 1 0.54197087 0.62300669 0.75000000 1.0 Ge Ge35 1 0.04055831 0.87730200 0.75000000 1.0