# generated using pymatgen data_TbNbCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41345062 _cell_length_b 8.96282143 _cell_length_c 11.30708528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbNbCrB6 _chemical_formula_sum 'Tb4 Nb4 Cr4 B24' _cell_volume 345.93064470 _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 0.82233531 0.08537599 1.0 Tb Tb1 1 0.00000000 0.17766469 0.91462401 1.0 Tb Tb2 1 0.00000000 0.32233531 0.41462401 1.0 Tb Tb3 1 0.00000000 0.67766469 0.58537599 1.0 Nb Nb4 1 0.00000000 0.44598822 0.12738134 1.0 Nb Nb5 1 0.00000000 0.55401178 0.87261866 1.0 Nb Nb6 1 0.00000000 0.94598822 0.37261866 1.0 Nb Nb7 1 0.00000000 0.05401178 0.62738134 1.0 Cr Cr8 1 0.00000000 0.14414803 0.18385939 1.0 Cr Cr9 1 0.00000000 0.85585197 0.81614061 1.0 Cr Cr10 1 0.00000000 0.64414803 0.31614061 1.0 Cr Cr11 1 0.00000000 0.35585197 0.68385939 1.0 B B12 1 0.50000000 0.05523308 0.06790440 1.0 B B13 1 0.50000000 0.94476692 0.93209560 1.0 B B14 1 0.50000000 0.55523308 0.43209560 1.0 B B15 1 0.50000000 0.44476692 0.56790440 1.0 B B16 1 0.50000000 0.25374179 0.08263645 1.0 B B17 1 0.50000000 0.74625821 0.91736355 1.0 B B18 1 0.50000000 0.75374179 0.41736355 1.0 B B19 1 0.50000000 0.24625821 0.58263645 1.0 B B20 1 0.50000000 0.29726779 0.23636796 1.0 B B21 1 0.50000000 0.70273221 0.76363204 1.0 B B22 1 0.50000000 0.79726779 0.26363204 1.0 B B23 1 0.50000000 0.20273221 0.73636796 1.0 B B24 1 0.50000000 0.13023386 0.31792927 1.0 B B25 1 0.50000000 0.86976614 0.68207073 1.0 B B26 1 0.50000000 0.63023386 0.18207073 1.0 B B27 1 0.50000000 0.36976614 0.81792927 1.0 B B28 1 0.50000000 0.48238216 0.28633393 1.0 B B29 1 0.50000000 0.51761784 0.71366607 1.0 B B30 1 0.50000000 0.98238216 0.21366607 1.0 B B31 1 0.50000000 0.01761784 0.78633393 1.0 B B32 1 0.50000000 0.09954302 0.47387221 1.0 B B33 1 0.50000000 0.90045698 0.52612779 1.0 B B34 1 0.50000000 0.59954302 0.02612779 1.0 B B35 1 0.50000000 0.40045698 0.97387221 1.0