# generated using pymatgen data_Na2Al2B2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87257052 _cell_length_b 4.87257052 _cell_length_c 15.59450900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000704 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Al2B2O7 _chemical_formula_sum 'Na4 Al4 B4 O14' _cell_volume 320.64064432 _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 0.00000000 0.00000000 0.25000000 1.0 Na Na1 1 0.00000000 0.00000000 0.50000000 1.0 Na Na2 1 0.00000000 0.00000000 0.00000000 1.0 Na Na3 1 0.00000000 0.00000000 0.75000000 1.0 Al Al4 1 0.33333300 0.66666700 0.63880300 1.0 Al Al5 1 0.66666700 0.33333300 0.13880300 1.0 Al Al6 1 0.33333300 0.66666700 0.86119700 1.0 Al Al7 1 0.66666700 0.33333300 0.36119700 1.0 B B8 1 0.66666700 0.33333300 0.89588100 1.0 B B9 1 0.33333300 0.66666700 0.39588100 1.0 B B10 1 0.33333300 0.66666700 0.10411900 1.0 B B11 1 0.66666700 0.33333300 0.60411900 1.0 O O12 1 0.96070100 0.60558500 0.89593000 1.0 O O13 1 0.39441500 0.03929900 0.60407000 1.0 O O14 1 0.96070100 0.35511600 0.60407000 1.0 O O15 1 0.35511600 0.39441500 0.39593000 1.0 O O16 1 0.03929900 0.64488400 0.39593000 1.0 O O17 1 0.64488400 0.03929900 0.89593000 1.0 O O18 1 0.60558500 0.64488400 0.10407000 1.0 O O19 1 0.03929900 0.39441500 0.10407000 1.0 O O20 1 0.35511600 0.96070100 0.10407000 1.0 O O21 1 0.64488400 0.60558500 0.60407000 1.0 O O22 1 0.39441500 0.35511600 0.89593000 1.0 O O23 1 0.60558500 0.96070100 0.39593000 1.0 O O24 1 0.66666700 0.33333300 0.25000000 1.0 O O25 1 0.33333300 0.66666700 0.75000000 1.0