# generated using pymatgen data_BaFe12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66147570 _cell_length_b 4.66050000 _cell_length_c 21.60472800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 60.00692375 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFe12 _chemical_formula_sum 'Ba2 Fe24' _cell_volume 406.50479021 _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 Ba Ba0 1 0.66667100 0.66666500 0.73394400 1.0 Ba Ba1 1 0.33332900 0.33333500 0.23394400 1.0 Fe Fe2 1 0.33319800 0.33340100 0.51488500 1.0 Fe Fe3 1 0.66657700 0.66671200 0.47785700 1.0 Fe Fe4 1 0.66680200 0.66659900 0.01488500 1.0 Fe Fe5 1 0.33342300 0.33328800 0.97785700 1.0 Fe Fe6 1 0.99997700 0.00001100 0.49593300 1.0 Fe Fe7 1 0.00002300 0.99998900 0.99593300 1.0 Fe Fe8 1 0.33304700 0.33347700 0.62577900 1.0 Fe Fe9 1 0.66659300 0.66670400 0.35729300 1.0 Fe Fe10 1 0.66695300 0.66652300 0.12577900 1.0 Fe Fe11 1 0.33340700 0.33329600 0.85729300 1.0 Fe Fe12 1 0.17138400 0.65724200 0.40656800 1.0 Fe Fe13 1 0.65724800 0.17137600 0.40657200 1.0 Fe Fe14 1 0.17138400 0.17137400 0.40656800 1.0 Fe Fe15 1 0.83174900 0.33607200 0.58697700 1.0 Fe Fe16 1 0.33557400 0.83221300 0.58701600 1.0 Fe Fe17 1 0.83174900 0.83217900 0.58697700 1.0 Fe Fe18 1 0.82861600 0.34275800 0.90656800 1.0 Fe Fe19 1 0.34275200 0.82862400 0.90657200 1.0 Fe Fe20 1 0.82861600 0.82862600 0.90656800 1.0 Fe Fe21 1 0.16825100 0.66392800 0.08697700 1.0 Fe Fe22 1 0.66442600 0.16778700 0.08701600 1.0 Fe Fe23 1 0.16825100 0.16782100 0.08697700 1.0 Fe Fe24 1 0.00007800 0.99996100 0.82063100 1.0 Fe Fe25 1 0.99992200 0.00003900 0.32063100 1.0