# generated using pymatgen data_TbThTcB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79652576 _cell_length_b 9.26403454 _cell_length_c 11.66990644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbThTcB6 _chemical_formula_sum 'Tb4 Th4 Tc4 B24' _cell_volume 410.44398099 _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 0.94462152 0.37227753 1.0 Tb Tb1 1 0.00000000 0.05537848 0.62772247 1.0 Tb Tb2 1 0.00000000 0.44462152 0.12772247 1.0 Tb Tb3 1 0.00000000 0.55537848 0.87227753 1.0 Th Th4 1 0.00000000 0.32269451 0.41399281 1.0 Th Th5 1 0.00000000 0.67730549 0.58600719 1.0 Th Th6 1 0.00000000 0.82269451 0.08600719 1.0 Th Th7 1 0.00000000 0.17730549 0.91399281 1.0 Tc Tc8 1 0.00000000 0.63913600 0.32045163 1.0 Tc Tc9 1 0.00000000 0.36086400 0.67954837 1.0 Tc Tc10 1 0.00000000 0.13913600 0.17954837 1.0 Tc Tc11 1 0.00000000 0.86086400 0.82045163 1.0 B B12 1 0.50000000 0.55622484 0.42968733 1.0 B B13 1 0.50000000 0.44377516 0.57031267 1.0 B B14 1 0.50000000 0.05622484 0.07031267 1.0 B B15 1 0.50000000 0.94377516 0.92968733 1.0 B B16 1 0.50000000 0.74884544 0.41703678 1.0 B B17 1 0.50000000 0.25115456 0.58296322 1.0 B B18 1 0.50000000 0.24884544 0.08296322 1.0 B B19 1 0.50000000 0.75115456 0.91703678 1.0 B B20 1 0.50000000 0.79006698 0.26711878 1.0 B B21 1 0.50000000 0.20993302 0.73288122 1.0 B B22 1 0.50000000 0.29006698 0.23288122 1.0 B B23 1 0.50000000 0.70993302 0.76711878 1.0 B B24 1 0.50000000 0.63117279 0.18654926 1.0 B B25 1 0.50000000 0.36882721 0.81345074 1.0 B B26 1 0.50000000 0.13117279 0.31345074 1.0 B B27 1 0.50000000 0.86882721 0.68654926 1.0 B B28 1 0.50000000 0.98637719 0.21370028 1.0 B B29 1 0.50000000 0.01362281 0.78629972 1.0 B B30 1 0.50000000 0.48637719 0.28629972 1.0 B B31 1 0.50000000 0.51362281 0.71370028 1.0 B B32 1 0.50000000 0.60643760 0.02938383 1.0 B B33 1 0.50000000 0.39356240 0.97061617 1.0 B B34 1 0.50000000 0.10643760 0.47061617 1.0 B B35 1 0.50000000 0.89356240 0.52938383 1.0