# generated using pymatgen data_NaBeB14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18815726 _cell_length_b 7.18815696 _cell_length_c 7.18815682 _cell_angle_alpha 133.71777408 _cell_angle_beta 110.03369819 _cell_angle_gamma 88.06994515 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeB14 _chemical_formula_sum 'Na2 Be2 B28' _cell_volume 240.65158528 _cell_formula_units_Z 2 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 0.09795308 0.75000000 0.34795308 1.0 Na Na1 1 0.90204692 0.25000000 0.65204692 1.0 Be Be2 1 0.50000000 0.50000000 0.50000000 1.0 Be Be3 1 0.50000000 0.00000000 0.00000000 1.0 B B4 1 0.89570023 0.22089301 0.99968098 1.0 B B5 1 0.46254964 0.16560927 0.78851116 1.0 B B6 1 0.87709811 0.17403948 0.21148884 1.0 B B7 1 0.72121303 0.39601925 0.00031902 1.0 B B8 1 0.57446841 0.40838527 0.16608214 1.0 B B9 1 0.70391235 0.33844327 0.36546808 1.0 B B10 1 0.29813616 0.33315500 0.96498016 1.0 B B11 1 0.72121303 0.72089301 0.32519278 1.0 B B12 1 0.87709811 0.66560927 0.70305863 1.0 B B13 1 0.46254964 0.67403948 0.29694137 1.0 B B14 1 0.10429977 0.10398075 0.32519278 1.0 B B15 1 0.89570023 0.89601925 0.67480722 1.0 B B16 1 0.53745036 0.32596052 0.70305863 1.0 B B17 1 0.12290189 0.33439073 0.29694137 1.0 B B18 1 0.27878697 0.27910699 0.67480722 1.0 B B19 1 0.74230213 0.90838527 0.83391786 1.0 B B20 1 0.47297518 0.83844327 0.63453192 1.0 B B21 1 0.86817484 0.83315500 0.03501984 1.0 B B22 1 0.70186384 0.66684500 0.03501984 1.0 B B23 1 0.29608765 0.66155673 0.63453192 1.0 B B24 1 0.42553159 0.59161473 0.83391786 1.0 B B25 1 0.27878697 0.60398075 0.99968098 1.0 B B26 1 0.12290189 0.82596052 0.78851116 1.0 B B27 1 0.53745036 0.83439073 0.21148884 1.0 B B28 1 0.10429977 0.77910699 0.00031902 1.0 B B29 1 0.13182516 0.16684500 0.96498016 1.0 B B30 1 0.52702482 0.16155673 0.36546808 1.0 B B31 1 0.25769787 0.09161473 0.16608214 1.0