# generated using pymatgen data_Tb7Th(ReB6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72220258 _cell_length_b 9.21409919 _cell_length_c 11.61856122 _cell_angle_alpha 90.03983966 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb7Th(ReB6)4 _chemical_formula_sum 'Tb7 Th1 Re4 B24' _cell_volume 398.47872127 _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 0.67765433 0.58723532 1.0 Tb Tb1 1 0.00000000 0.82404296 0.08504997 1.0 Tb Tb2 1 0.00000000 0.17568786 0.91416850 1.0 Tb Tb3 1 0.00000000 0.94128198 0.36930869 1.0 Tb Tb4 1 0.00000000 0.05662044 0.63137648 1.0 Tb Tb5 1 0.00000000 0.44279355 0.12874410 1.0 Tb Tb6 1 0.00000000 0.55817409 0.87014316 1.0 Th Th7 1 0.00000000 0.32262865 0.41430776 1.0 Re Re8 1 0.00000000 0.63771493 0.32106802 1.0 Re Re9 1 0.00000000 0.36280186 0.67972287 1.0 Re Re10 1 0.00000000 0.13786746 0.17855924 1.0 Re Re11 1 0.00000000 0.86224406 0.82081429 1.0 B B12 1 0.50000000 0.55557449 0.43175185 1.0 B B13 1 0.50000000 0.44696158 0.56987587 1.0 B B14 1 0.50000000 0.05307244 0.06676571 1.0 B B15 1 0.50000000 0.94650930 0.93262921 1.0 B B16 1 0.50000000 0.74862037 0.41738288 1.0 B B17 1 0.50000000 0.25221984 0.58559990 1.0 B B18 1 0.50000000 0.24743560 0.08078558 1.0 B B19 1 0.50000000 0.75219317 0.91791155 1.0 B B20 1 0.50000000 0.79056958 0.26505032 1.0 B B21 1 0.50000000 0.20947607 0.73600469 1.0 B B22 1 0.50000000 0.28894596 0.23199196 1.0 B B23 1 0.50000000 0.70955167 0.76603393 1.0 B B24 1 0.50000000 0.63162424 0.18519668 1.0 B B25 1 0.50000000 0.36982100 0.81457548 1.0 B B26 1 0.50000000 0.12894213 0.31151797 1.0 B B27 1 0.50000000 0.86926272 0.68683397 1.0 B B28 1 0.50000000 0.98237478 0.21073284 1.0 B B29 1 0.50000000 0.01680861 0.78881313 1.0 B B30 1 0.50000000 0.48580066 0.28643321 1.0 B B31 1 0.50000000 0.51762281 0.71330505 1.0 B B32 1 0.50000000 0.60189933 0.02798664 1.0 B B33 1 0.50000000 0.39885441 0.97130865 1.0 B B34 1 0.50000000 0.09775086 0.47253468 1.0 B B35 1 0.50000000 0.89859219 0.52847585 1.0