data_[Mn12Fe10]
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 [Immm]
_cell_length_a [3.8462]
_cell_length_b [5.6085]
_cell_length_c [11.5466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mn6Fe5]
_chemical_formula_sum '[Mn12 Fe10]'
_cell_volume [249.0764]
_cell_formula_units_Z [2]
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  0.0000  0.2225  0.1490  1
  Mn  Mn1  4  0.0000  0.3005  0.5000  1
  Fe  Fe2  4  0.0000  0.0000  0.3437  1
  Fe  Fe3  4  0.0000  0.5000  0.3046  1
  Fe  Fe4  2  0.0000  0.5000  0.0000  1
]