# generated using pymatgen data_Ba3NaB24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25600100 _cell_length_b 4.25600100 _cell_length_c 16.96837700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NaB24 _chemical_formula_sum 'Ba3 Na1 B24' _cell_volume 307.35745209 _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 Ba Ba0 1 0.00000000 0.00000000 0.24556700 1.0 Ba Ba1 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba2 1 0.00000000 0.00000000 0.75443300 1.0 Na Na3 1 0.00000000 0.00000000 0.00000000 1.0 B B4 1 0.20222400 0.50000000 0.12288100 1.0 B B5 1 0.20449100 0.50000000 0.37474600 1.0 B B6 1 0.20449100 0.50000000 0.62525400 1.0 B B7 1 0.20222400 0.50000000 0.87711900 1.0 B B8 1 0.50000000 0.50000000 0.19767200 1.0 B B9 1 0.50000000 0.50000000 0.44884700 1.0 B B10 1 0.50000000 0.50000000 0.69976700 1.0 B B11 1 0.50000000 0.50000000 0.95087400 1.0 B B12 1 0.50000000 0.20222400 0.12288100 1.0 B B13 1 0.50000000 0.20449100 0.37474600 1.0 B B14 1 0.50000000 0.20449100 0.62525400 1.0 B B15 1 0.50000000 0.20222400 0.87711900 1.0 B B16 1 0.50000000 0.50000000 0.04912600 1.0 B B17 1 0.50000000 0.50000000 0.30023300 1.0 B B18 1 0.50000000 0.50000000 0.55115300 1.0 B B19 1 0.50000000 0.50000000 0.80232800 1.0 B B20 1 0.50000000 0.79777600 0.12288100 1.0 B B21 1 0.50000000 0.79550900 0.37474600 1.0 B B22 1 0.50000000 0.79550900 0.62525400 1.0 B B23 1 0.50000000 0.79777600 0.87711900 1.0 B B24 1 0.79777600 0.50000000 0.12288100 1.0 B B25 1 0.79550900 0.50000000 0.37474600 1.0 B B26 1 0.79550900 0.50000000 0.62525400 1.0 B B27 1 0.79777600 0.50000000 0.87711900 1.0