# generated using pymatgen data_TbThReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78795329 _cell_length_b 9.28003881 _cell_length_c 11.69003093 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbThReB6 _chemical_formula_sum 'Tb4 Th4 Re4 B24' _cell_volume 410.93210090 _cell_formula_units_Z 4 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 Tb Tb0 1 0.00000000 0.94486868 0.37300392 1.0 Tb Tb1 1 0.00000000 0.05513132 0.62699608 1.0 Tb Tb2 1 0.00000000 0.44486868 0.12699608 1.0 Tb Tb3 1 0.00000000 0.55513132 0.87300392 1.0 Th Th4 1 0.00000000 0.32232561 0.41381051 1.0 Th Th5 1 0.00000000 0.67767439 0.58618949 1.0 Th Th6 1 0.00000000 0.82232561 0.08618949 1.0 Th Th7 1 0.00000000 0.17767439 0.91381051 1.0 Re Re8 1 0.00000000 0.63895466 0.32049807 1.0 Re Re9 1 0.00000000 0.36104534 0.67950193 1.0 Re Re10 1 0.00000000 0.13895466 0.17950193 1.0 Re Re11 1 0.00000000 0.86104534 0.82049807 1.0 B B12 1 0.50000000 0.55611651 0.42963257 1.0 B B13 1 0.50000000 0.44388349 0.57036743 1.0 B B14 1 0.50000000 0.05611651 0.07036743 1.0 B B15 1 0.50000000 0.94388349 0.92963257 1.0 B B16 1 0.50000000 0.74860522 0.41706776 1.0 B B17 1 0.50000000 0.25139478 0.58293224 1.0 B B18 1 0.50000000 0.24860522 0.08293224 1.0 B B19 1 0.50000000 0.75139478 0.91706776 1.0 B B20 1 0.50000000 0.79020772 0.26736747 1.0 B B21 1 0.50000000 0.20979228 0.73263253 1.0 B B22 1 0.50000000 0.29020772 0.23263253 1.0 B B23 1 0.50000000 0.70979228 0.76736747 1.0 B B24 1 0.50000000 0.63128372 0.18680859 1.0 B B25 1 0.50000000 0.36871628 0.81319141 1.0 B B26 1 0.50000000 0.13128372 0.31319141 1.0 B B27 1 0.50000000 0.86871628 0.68680859 1.0 B B28 1 0.50000000 0.98622145 0.21392435 1.0 B B29 1 0.50000000 0.01377855 0.78607565 1.0 B B30 1 0.50000000 0.48622145 0.28607565 1.0 B B31 1 0.50000000 0.51377855 0.71392435 1.0 B B32 1 0.50000000 0.60685301 0.02954325 1.0 B B33 1 0.50000000 0.39314699 0.97045675 1.0 B B34 1 0.50000000 0.10685301 0.47045675 1.0 B B35 1 0.50000000 0.89314699 0.52954325 1.0