data_[Mn2Fe2Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4683]
_cell_length_b [3.5953]
_cell_length_c [3.8422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnFeCl2]
_chemical_formula_sum '[Mn2 Fe2 Cl4]'
_cell_volume [166.3275]
_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  2  0.0000  0.5000  0.0000  1
  Fe  Fe1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  4  0.1375  0.5000  0.6386  1
]