# generated using pymatgen data_Zr8Be3Si13Mo12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54967651 _cell_length_b 6.65690577 _cell_length_c 12.61390079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.12641879 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Be3Si13Mo12 _chemical_formula_sum 'Zr8 Be3 Si13 Mo12' _cell_volume 549.97204312 _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 0.49620899 0.33491990 0.09328218 1.0 Zr Zr1 1 0.99695723 0.16992927 0.40591518 1.0 Zr Zr2 1 0.50124077 0.66842019 0.59703923 1.0 Zr Zr3 1 0.00163663 0.83179934 0.90253664 1.0 Zr Zr4 1 0.50124077 0.66842019 0.90296077 1.0 Zr Zr5 1 0.00163663 0.83179934 0.59746336 1.0 Zr Zr6 1 0.49620899 0.33491990 0.40671782 1.0 Zr Zr7 1 0.99695723 0.16992927 0.09408482 1.0 Be Be8 1 0.54391960 0.37469916 0.75000000 1.0 Be Be9 1 0.04379869 0.12550988 0.75000000 1.0 Be Be10 1 0.45878887 0.62595203 0.25000000 1.0 Si Si11 1 0.66682901 0.04132911 0.54134325 1.0 Si Si12 1 0.16571824 0.45805548 0.95679911 1.0 Si Si13 1 0.33311084 0.95920015 0.04016037 1.0 Si Si14 1 0.83390602 0.54137051 0.45976013 1.0 Si Si15 1 0.33311084 0.95920015 0.45983963 1.0 Si Si16 1 0.83390602 0.54137051 0.04023987 1.0 Si Si17 1 0.66682901 0.04132911 0.95865675 1.0 Si Si18 1 0.16571824 0.45805548 0.54320089 1.0 Si Si19 1 0.96015756 0.87121427 0.25000000 1.0 Si Si20 1 0.79221062 0.62586024 0.75000000 1.0 Si Si21 1 0.29250038 0.87404819 0.75000000 1.0 Si Si22 1 0.20697243 0.37158855 0.25000000 1.0 Si Si23 1 0.69797226 0.13556763 0.25000000 1.0 Mo Mo24 1 0.83899297 0.32747763 0.62562810 1.0 Mo Mo25 1 0.34072146 0.17240892 0.87415892 1.0 Mo Mo26 1 0.16737860 0.66604060 0.12328167 1.0 Mo Mo27 1 0.65924154 0.82857680 0.37534793 1.0 Mo Mo28 1 0.16737860 0.66604060 0.37671833 1.0 Mo Mo29 1 0.65924154 0.82857680 0.12465207 1.0 Mo Mo30 1 0.83899297 0.32747763 0.87437190 1.0 Mo Mo31 1 0.34072146 0.17240892 0.62584108 1.0 Mo Mo32 1 0.66635160 0.00100355 0.75000000 1.0 Mo Mo33 1 0.16710430 0.49926175 0.75000000 1.0 Mo Mo34 1 0.33367061 0.00257438 0.25000000 1.0 Mo Mo35 1 0.83266654 0.49366055 0.25000000 1.0