data_[Mg8Fe4O12]
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 [C2/m]
_cell_length_a [5.2734]
_cell_length_b [9.1394]
_cell_length_c [5.2934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2FeO3]
_chemical_formula_sum '[Mg8 Fe4 O12]'
_cell_volume [238.9874]
_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  0.1676  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.0000  0.5000  0.5000  1
  Fe  Fe3  4  0.0000  0.3311  0.0000  1
  O  O4  8  0.2446  0.1633  0.2590  1
  O  O5  4  0.2477  0.0000  0.7484  1
]