# generated using pymatgen data_Th4BeCoB20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17402619 _cell_length_b 5.60493665 _cell_length_c 11.15613428 _cell_angle_alpha 89.72264891 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4BeCoB20 _chemical_formula_sum 'Th4 Be1 Co1 B20' _cell_volume 260.99640359 _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 Th Th0 1 0.50000000 0.30019065 0.86555721 1.0 Th Th1 1 0.50000000 0.69980935 0.13444279 1.0 Th Th2 1 0.50000000 0.80004492 0.63398054 1.0 Th Th3 1 0.50000000 0.19995508 0.36601946 1.0 Be Be4 1 0.00000000 0.50000000 0.50000000 1.0 Co Co5 1 0.00000000 0.00000000 0.00000000 1.0 B B6 1 0.00000000 0.12786887 0.53926592 1.0 B B7 1 0.00000000 0.87213113 0.46073408 1.0 B B8 1 0.00000000 0.62817305 0.96029678 1.0 B B9 1 0.00000000 0.37182695 0.03970322 1.0 B B10 1 0.00000000 0.15622306 0.69556152 1.0 B B11 1 0.00000000 0.84377694 0.30443848 1.0 B B12 1 0.29969375 0.20040124 0.11427536 1.0 B B13 1 0.29969375 0.79959876 0.88572464 1.0 B B14 1 0.70005615 0.69915402 0.38885799 1.0 B B15 1 0.70005615 0.30084598 0.61114201 1.0 B B16 1 0.70030625 0.79959876 0.88572464 1.0 B B17 1 0.70030625 0.20040124 0.11427536 1.0 B B18 1 0.29994385 0.30084598 0.61114201 1.0 B B19 1 0.29994385 0.69915402 0.38885799 1.0 B B20 1 0.00000000 0.03243530 0.18789879 1.0 B B21 1 0.00000000 0.96756470 0.81210121 1.0 B B22 1 0.00000000 0.53231088 0.31488590 1.0 B B23 1 0.00000000 0.46768912 0.68511410 1.0 B B24 1 0.00000000 0.34604765 0.19795836 1.0 B B25 1 0.00000000 0.65395235 0.80204164 1.0