# generated using pymatgen data_TbNbReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56557830 _cell_length_b 8.94129324 _cell_length_c 11.30935951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbNbReB6 _chemical_formula_sum 'Tb4 Nb4 Re4 B24' _cell_volume 360.55234672 _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 0.32285289 0.41377775 1.0 Tb Tb1 1 0.00000000 0.67714711 0.58622225 1.0 Tb Tb2 1 0.00000000 0.82285289 0.08622225 1.0 Tb Tb3 1 0.00000000 0.17714711 0.91377775 1.0 Nb Nb4 1 0.00000000 0.94611575 0.37525717 1.0 Nb Nb5 1 0.00000000 0.05388425 0.62474283 1.0 Nb Nb6 1 0.00000000 0.44611575 0.12474283 1.0 Nb Nb7 1 0.00000000 0.55388425 0.87525717 1.0 Re Re8 1 0.00000000 0.64438703 0.31691646 1.0 Re Re9 1 0.00000000 0.35561297 0.68308354 1.0 Re Re10 1 0.00000000 0.14438703 0.18308354 1.0 Re Re11 1 0.00000000 0.85561297 0.81691646 1.0 B B12 1 0.50000000 0.55504950 0.43318058 1.0 B B13 1 0.50000000 0.44495050 0.56681942 1.0 B B14 1 0.50000000 0.05504950 0.06681942 1.0 B B15 1 0.50000000 0.94495050 0.93318058 1.0 B B16 1 0.50000000 0.75470180 0.41781776 1.0 B B17 1 0.50000000 0.24529820 0.58218224 1.0 B B18 1 0.50000000 0.25470180 0.08218224 1.0 B B19 1 0.50000000 0.74529820 0.91781776 1.0 B B20 1 0.50000000 0.79768947 0.26297761 1.0 B B21 1 0.50000000 0.20231053 0.73702239 1.0 B B22 1 0.50000000 0.29768947 0.23702239 1.0 B B23 1 0.50000000 0.70231053 0.76297761 1.0 B B24 1 0.50000000 0.63013877 0.18149838 1.0 B B25 1 0.50000000 0.36986123 0.81850162 1.0 B B26 1 0.50000000 0.13013877 0.31850162 1.0 B B27 1 0.50000000 0.86986123 0.68149838 1.0 B B28 1 0.50000000 0.98243475 0.21352233 1.0 B B29 1 0.50000000 0.01756525 0.78647767 1.0 B B30 1 0.50000000 0.48243475 0.28647767 1.0 B B31 1 0.50000000 0.51756525 0.71352233 1.0 B B32 1 0.50000000 0.59938575 0.02633015 1.0 B B33 1 0.50000000 0.40061425 0.97366985 1.0 B B34 1 0.50000000 0.09938575 0.47366985 1.0 B B35 1 0.50000000 0.90061425 0.52633015 1.0