# generated using pymatgen data_Na3B20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12626307 _cell_length_b 5.67533883 _cell_length_c 9.73792650 _cell_angle_alpha 106.94201992 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3B20 _chemical_formula_sum 'Na3 B20' _cell_volume 218.14518711 _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 Na Na0 1 -0.00000000 0.63598387 0.27196774 1.0 Na Na1 1 -0.00000000 0.36401613 0.72803226 1.0 Na Na2 1 -0.00000000 -0.00000000 0.00000000 1.0 B B3 1 0.50000000 0.25582188 0.51164476 1.0 B B4 1 0.50000000 0.74417812 0.48835524 1.0 B B5 1 0.50000000 0.02677356 0.59527472 1.0 B B6 1 0.20783500 0.82603582 0.65207465 1.0 B B7 1 0.20783500 0.17396418 0.34792535 1.0 B B8 1 0.79216500 0.17396418 0.34792535 1.0 B B9 1 0.79216500 0.82603582 0.65207465 1.0 B B10 1 0.20095249 0.50000000 0.00000000 1.0 B B11 1 0.79904751 0.50000000 0.00000000 1.0 B B12 1 0.50000000 0.60899829 0.90612134 1.0 B B13 1 0.50000000 0.39100171 0.09387866 1.0 B B14 1 0.50000000 0.70287795 0.09387866 1.0 B B15 1 0.50000000 0.29712205 0.90612134 1.0 B B16 1 0.50000000 0.73473930 0.76949466 1.0 B B17 1 0.50000000 0.26526070 0.23050534 1.0 B B18 1 0.50000000 0.96524464 0.23050534 1.0 B B19 1 0.50000000 0.03475536 0.76949466 1.0 B B20 1 0.50000000 0.56850416 0.59527472 1.0 B B21 1 0.50000000 0.43149584 0.40472528 1.0 B B22 1 0.50000000 0.97322644 0.40472528 1.0