# generated using pymatgen data_Ba5Fe5O14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89832425 _cell_length_b 5.89832425 _cell_length_c 24.71525800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.30347333 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Fe5O14 _chemical_formula_sum 'Ba10 Fe10 O28' _cell_volume 742.36392004 _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 0.33294400 0.66705600 0.96109800 1.0 Ba Ba1 1 0.66705600 0.33294400 0.46109800 1.0 Ba Ba2 1 0.66705600 0.33294400 0.03890200 1.0 Ba Ba3 1 0.33294400 0.66705600 0.53890200 1.0 Ba Ba4 1 0.96559900 0.03440100 0.75000000 1.0 Ba Ba5 1 0.03440100 0.96559900 0.25000000 1.0 Ba Ba6 1 0.65494700 0.34505300 0.86093100 1.0 Ba Ba7 1 0.34505300 0.65494700 0.36093100 1.0 Ba Ba8 1 0.34505300 0.65494700 0.13906900 1.0 Ba Ba9 1 0.65494700 0.34505300 0.63906900 1.0 Fe Fe10 1 0.98939700 0.01060300 0.89315600 1.0 Fe Fe11 1 0.01060300 0.98939700 0.39315600 1.0 Fe Fe12 1 0.01060300 0.98939700 0.10684400 1.0 Fe Fe13 1 0.98939700 0.01060300 0.60684400 1.0 Fe Fe14 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe15 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe16 1 0.31846100 0.68153900 0.82163700 1.0 Fe Fe17 1 0.68153900 0.31846100 0.32163700 1.0 Fe Fe18 1 0.68153900 0.31846100 0.17836300 1.0 Fe Fe19 1 0.31846100 0.68153900 0.67836300 1.0 O O20 1 0.37689200 0.62310800 0.75000000 1.0 O O21 1 0.62310800 0.37689200 0.25000000 1.0 O O22 1 0.70621600 0.29378400 0.75000000 1.0 O O23 1 0.29378400 0.70621600 0.25000000 1.0 O O24 1 0.84841400 0.15158600 0.95593400 1.0 O O25 1 0.15158600 0.84841400 0.45593400 1.0 O O26 1 0.15158600 0.84841400 0.04406600 1.0 O O27 1 0.84841400 0.15158600 0.54406600 1.0 O O28 1 0.84854600 0.70769800 0.95095400 1.0 O O29 1 0.15145400 0.29230200 0.45095400 1.0 O O30 1 0.70769800 0.84854600 0.04904600 1.0 O O31 1 0.29230200 0.15145400 0.54904600 1.0 O O32 1 0.15145400 0.29230200 0.04904600 1.0 O O33 1 0.84854600 0.70769800 0.54904600 1.0 O O34 1 0.29230200 0.15145400 0.95095400 1.0 O O35 1 0.70769800 0.84854600 0.45095400 1.0 O O36 1 0.65082700 0.85747600 0.85488200 1.0 O O37 1 0.34917300 0.14252400 0.35488200 1.0 O O38 1 0.85747600 0.65082700 0.14511800 1.0 O O39 1 0.14252400 0.34917300 0.64511800 1.0 O O40 1 0.34917300 0.14252400 0.14511800 1.0 O O41 1 0.65082700 0.85747600 0.64511800 1.0 O O42 1 0.14252400 0.34917300 0.85488200 1.0 O O43 1 0.85747600 0.65082700 0.35488200 1.0 O O44 1 0.13945700 0.86054300 0.84056300 1.0 O O45 1 0.86054300 0.13945700 0.34056300 1.0 O O46 1 0.86054300 0.13945700 0.15943700 1.0 O O47 1 0.13945700 0.86054300 0.65943700 1.0