# generated using pymatgen data_Na2CaCeB24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13851157 _cell_length_b 5.85896574 _cell_length_c 11.70051688 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaCeB24 _chemical_formula_sum 'Na2 Ca1 Ce1 B24' _cell_volume 283.70708433 _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 0.50000000 0.24087635 1.0 Na Na1 1 0.00000000 0.50000000 0.75912365 1.0 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1.0 Ce Ce3 1 0.00000000 0.00000000 0.50000000 1.0 B B4 1 0.20084163 0.50000000 0.50000000 1.0 B B5 1 0.20064921 0.00000000 0.74861039 1.0 B B6 1 0.20005990 0.50000000 0.00000000 1.0 B B7 1 0.20064921 0.00000000 0.25138961 1.0 B B8 1 0.50000000 0.64791475 0.57537968 1.0 B B9 1 0.50000000 0.15073765 0.82354056 1.0 B B10 1 0.50000000 0.64913943 0.07532010 1.0 B B11 1 0.50000000 0.15007885 0.32537449 1.0 B B12 1 0.50000000 0.35208525 0.57537968 1.0 B B13 1 0.50000000 0.84926235 0.82354056 1.0 B B14 1 0.50000000 0.35086057 0.07532010 1.0 B B15 1 0.50000000 0.84992115 0.32537449 1.0 B B16 1 0.50000000 0.35208525 0.42462032 1.0 B B17 1 0.50000000 0.84992115 0.67462551 1.0 B B18 1 0.50000000 0.35086057 0.92467990 1.0 B B19 1 0.50000000 0.84926235 0.17645944 1.0 B B20 1 0.50000000 0.64791475 0.42462032 1.0 B B21 1 0.50000000 0.15007885 0.67462551 1.0 B B22 1 0.50000000 0.64913943 0.92467990 1.0 B B23 1 0.50000000 0.15073765 0.17645944 1.0 B B24 1 0.79915837 0.50000000 0.50000000 1.0 B B25 1 0.79935079 0.00000000 0.74861039 1.0 B B26 1 0.79994010 0.50000000 0.00000000 1.0 B B27 1 0.79935079 0.00000000 0.25138961 1.0