# generated using pymatgen data_Fe4O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42965342 _cell_length_b 6.42965342 _cell_length_c 6.35022992 _cell_angle_alpha 77.54190651 _cell_angle_beta 59.56098317 _cell_angle_gamma 106.65310301 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe4O13 _chemical_formula_sum 'Fe4 O13' _cell_volume 195.05018486 _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 Fe Fe0 1 -0.00000000 0.50000000 0.00000000 1.0 Fe Fe1 1 0.50000000 -0.00000000 0.00000000 1.0 Fe Fe2 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe3 1 -0.00000000 -0.00000000 0.50000000 1.0 O O4 1 0.08915677 0.69606174 0.60897889 1.0 O O5 1 0.30504063 0.69813567 0.39102111 1.0 O O6 1 0.69495937 0.30186433 0.60897889 1.0 O O7 1 0.91084323 0.30393826 0.39102111 1.0 O O8 1 0.82416424 0.65870095 0.16028223 1.0 O O9 1 0.81898319 0.98444747 0.83971777 1.0 O O10 1 0.17583576 0.34129905 0.83971777 1.0 O O11 1 0.18101681 0.01555253 0.16028223 1.0 O O12 1 0.50000000 0.50000000 0.00000000 1.0 O O13 1 0.39230116 0.79272712 0.81497172 1.0 O O14 1 0.60769884 0.20727288 0.18502828 1.0 O O15 1 0.38922061 0.20833779 0.40244060 1.0 O O16 1 0.61077939 0.79166221 0.59755940 1.0