# generated using pymatgen data_Tb5Th3(TcB6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77460268 _cell_length_b 9.24144539 _cell_length_c 11.65235037 _cell_angle_alpha 90.07878093 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Th3(TcB6)4 _chemical_formula_sum 'Tb5 Th3 Tc4 B24' _cell_volume 406.46604289 _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 Tb Tb0 1 0.00000000 0.17673481 0.91388187 1.0 Tb Tb1 1 0.00000000 0.94475268 0.37150746 1.0 Tb Tb2 1 0.00000000 0.05651590 0.63002536 1.0 Tb Tb3 1 0.00000000 0.44218289 0.12794396 1.0 Tb Tb4 1 0.00000000 0.55510909 0.87106052 1.0 Th Th5 1 0.00000000 0.32212817 0.41438654 1.0 Th Th6 1 0.00000000 0.67752036 0.58677359 1.0 Th Th7 1 0.00000000 0.82483052 0.08493339 1.0 Tc Tc8 1 0.00000000 0.63893240 0.32000472 1.0 Tc Tc9 1 0.00000000 0.36167940 0.67962170 1.0 Tc Tc10 1 0.00000000 0.13910242 0.17937490 1.0 Tc Tc11 1 0.00000000 0.86098260 0.82074733 1.0 B B12 1 0.50000000 0.55601354 0.42951099 1.0 B B13 1 0.50000000 0.44384236 0.57071159 1.0 B B14 1 0.50000000 0.05636024 0.06779074 1.0 B B15 1 0.50000000 0.94633880 0.93058517 1.0 B B16 1 0.50000000 0.74880708 0.41660739 1.0 B B17 1 0.50000000 0.25105667 0.58436682 1.0 B B18 1 0.50000000 0.24803189 0.08078100 1.0 B B19 1 0.50000000 0.75237114 0.91669376 1.0 B B20 1 0.50000000 0.78990191 0.26672079 1.0 B B21 1 0.50000000 0.20867510 0.73505279 1.0 B B22 1 0.50000000 0.28956028 0.23175517 1.0 B B23 1 0.50000000 0.71034302 0.76744817 1.0 B B24 1 0.50000000 0.63049845 0.18632848 1.0 B B25 1 0.50000000 0.36756674 0.81474644 1.0 B B26 1 0.50000000 0.13105106 0.31271153 1.0 B B27 1 0.50000000 0.87000379 0.68774719 1.0 B B28 1 0.50000000 0.98672124 0.21238769 1.0 B B29 1 0.50000000 0.01656286 0.78785600 1.0 B B30 1 0.50000000 0.48573715 0.28607047 1.0 B B31 1 0.50000000 0.51334034 0.71417511 1.0 B B32 1 0.50000000 0.60275005 0.02850376 1.0 B B33 1 0.50000000 0.39359439 0.97034862 1.0 B B34 1 0.50000000 0.10466741 0.47147189 1.0 B B35 1 0.50000000 0.89573422 0.52936512 1.0