# generated using pymatgen data_Tb2(NiB2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48907400 _cell_length_b 5.81126634 _cell_length_c 5.81126634 _cell_angle_alpha 96.62806492 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2(NiB2)3 _chemical_formula_sum 'Tb2 Ni3 B6' _cell_volume 117.04135056 _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 0.27548100 0.72451900 1.0 Tb Tb1 1 0.00000000 0.72451900 0.27548100 1.0 Ni Ni2 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.00000000 0.77321300 0.77321300 1.0 Ni Ni4 1 0.00000000 0.22678700 0.22678700 1.0 B B5 1 0.50000000 0.91448500 0.61466100 1.0 B B6 1 0.50000000 0.08551500 0.38533900 1.0 B B7 1 0.50000000 0.61466100 0.91448500 1.0 B B8 1 0.50000000 0.38533900 0.08551500 1.0 B B9 1 0.50000000 0.61323700 0.61323700 1.0 B B10 1 0.50000000 0.38676300 0.38676300 1.0