data_[Mg4Fe8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.2167]
_cell_length_b [4.4299]
_cell_length_c [13.2939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [MgFe2O3]
_chemical_formula_sum '[Mg4 Fe8 O12]'
_cell_volume [248.3276]
_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
[
  Mg  Mg0  4  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  8  0.0000  0.0000  0.1658  1.0
  O  O2  8  0.0000  0.0000  0.3371  1.0
  O  O3  4  0.0000  0.0000  0.0000  1.0
]