data_[Mg8Mn4Fe4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [C2/c]
_cell_length_a [8.5928]
_cell_length_b [8.7793]
_cell_length_c [6.1364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2MnFeO4]
_chemical_formula_sum '[Mg8 Mn4 Fe4 O16]'
_cell_volume [330.9635]
_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  0.5000  0.0000  1
  Mg  Mg1  4  0.2500  0.2500  0.0000  1
  Mn  Mn2  4  0.0000  0.0000  0.0000  1
  Fe  Fe3  4  0.2500  0.2500  0.5000  1
  O  O4  8  0.0096  0.2560  0.5137  1
  O  O5  8  0.2399  0.4933  0.9894  1
]