data_[Mn8Fe12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2255]
_cell_length_b [4.2901]
_cell_length_c [6.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2Fe3]
_chemical_formula_sum '[Mn8 Fe12]'
_cell_volume [208.3149]
_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  8  0.1001  0.3347  0.9519  1.0
  Fe  Fe1  8  0.2014  0.1661  0.6495  1.0
  Fe  Fe2  4  0.0000  0.1662  0.2500  1.0
]