# generated using pymatgen data_Zr4BeNb6Si7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87380938 _cell_length_b 6.86417544 _cell_length_c 12.65373597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.85961518 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4BeNb6Si7 _chemical_formula_sum 'Zr8 Be2 Nb12 Si14' _cell_volume 597.03985652 _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 Zr Zr0 1 0.00163016 0.65601072 0.03086089 1.0 Zr Zr1 1 0.99836984 0.34398928 0.53086089 1.0 Zr Zr2 1 0.65960522 0.00151021 0.96804281 1.0 Zr Zr3 1 0.15533832 0.49548697 0.78418630 1.0 Zr Zr4 1 0.84466168 0.50451303 0.28418630 1.0 Zr Zr5 1 0.50117697 0.15947967 0.21734199 1.0 Zr Zr6 1 0.49882303 0.84052033 0.71734199 1.0 Zr Zr7 1 0.34039478 0.99848979 0.46804281 1.0 Be Be8 1 0.05142962 0.70281272 0.43868880 1.0 Be Be9 1 0.94857038 0.29718728 0.93868880 1.0 Nb Nb10 1 0.34861840 0.50492427 0.37637280 1.0 Nb Nb11 1 0.85201144 0.99041820 0.37505074 1.0 Nb Nb12 1 0.00592660 0.15190159 0.12587994 1.0 Nb Nb13 1 0.99407340 0.84809841 0.62587994 1.0 Nb Nb14 1 0.65138160 0.49507573 0.87637280 1.0 Nb Nb15 1 0.50179493 0.35069539 0.62326985 1.0 Nb Nb16 1 0.49820507 0.64930461 0.12326985 1.0 Nb Nb17 1 0.14798856 0.00958180 0.87505074 1.0 Nb Nb18 1 0.67244819 0.67135234 0.50027462 1.0 Nb Nb19 1 0.82907503 0.17116760 0.75115410 1.0 Nb Nb20 1 0.17092497 0.82883240 0.25115410 1.0 Nb Nb21 1 0.32755181 0.32864766 0.00027462 1.0 Si Si22 1 0.70253241 0.04745809 0.56310621 1.0 Si Si23 1 0.20161555 0.45427253 0.18733448 1.0 Si Si24 1 0.79838445 0.54572747 0.68733448 1.0 Si Si25 1 0.45306752 0.20230118 0.81321044 1.0 Si Si26 1 0.54693248 0.79769882 0.31321044 1.0 Si Si27 1 0.29746759 0.95254191 0.06310621 1.0 Si Si28 1 0.86471065 0.79107652 0.82335696 1.0 Si Si29 1 0.13528935 0.20892348 0.32335696 1.0 Si Si30 1 0.79402565 0.86317440 0.17747938 1.0 Si Si31 1 0.28418583 0.63750175 0.56775756 1.0 Si Si32 1 0.71581417 0.36249825 0.06775756 1.0 Si Si33 1 0.63741088 0.29154307 0.42663212 1.0 Si Si34 1 0.36258912 0.70845693 0.92663212 1.0 Si Si35 1 0.20597435 0.13682560 0.67747938 1.0