data_[Mn8Fe4O16]
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 [Imma]
_cell_length_a [6.1668]
_cell_length_b [6.2527]
_cell_length_c [8.4324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Mn2FeO4]
_chemical_formula_sum '[Mn8 Fe4 O16]'
_cell_volume [325.1443]
_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  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.0000  0.2500  0.8703  1.0
  Fe  Fe2  4  0.2500  0.2500  0.2500  1.0
  O  O3  8  0.0000  0.0252  0.2667  1.0
  O  O4  8  0.2320  0.2500  0.4874  1.0
]