# generated using pymatgen data_UNbB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09732332 _cell_length_b 3.09732359 _cell_length_c 7.38288333 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000777 _symmetry_Int_Tables_number 1 _chemical_formula_structural UNbB4 _chemical_formula_sum 'U1 Nb1 B4' _cell_volume 61.33801611 _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 U U0 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.66666700 0.33333300 0.77099306 1.0 B B3 1 0.66666700 0.33333300 0.22900694 1.0 B B4 1 0.33333300 0.66666700 0.77099306 1.0 B B5 1 0.33333300 0.66666700 0.22900694 1.0