data_[Mn4Fe8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.7260]
_cell_length_b [10.3249]
_cell_length_c [5.7404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [MnFe2O3]
_chemical_formula_sum '[Mn4 Fe8 O12]'
_cell_volume [327.5859]
_cell_formula_units_Z [4]
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
[
  Mn  Mn0  4  0.4898  0.4114  0.4953  1
  Fe  Fe1  4  0.4864  0.7469  0.4866  1
  Fe  Fe2  4  0.4925  0.9199  0.9862  1
  O  O3  4  0.3541  0.2427  0.6211  1
  O  O4  4  0.3616  0.4186  0.1195  1
  O  O5  4  0.3682  0.0858  0.1200  1
]