data_[Cs2Mn2Fe2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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]
_cell_length_a [6.3883]
_cell_length_b [11.4272]
_cell_length_c [7.8047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsMnFeCl6]
_chemical_formula_sum '[Cs2 Mn2 Fe2 Cl12]'
_cell_volume [569.4850]
_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
[
  Cs  Cs0  2  0.0000  0.9987  0.0000  1.0
  Mn  Mn1  2  0.0000  0.3332  0.5000  1.0
  Fe  Fe2  2  0.0000  0.6558  0.5000  1.0
  Cl  Cl3  4  0.1274  0.5044  0.3256  1.0
  Cl  Cl4  4  0.1923  0.8111  0.3229  1.0
  Cl  Cl5  4  0.2005  0.1895  0.3192  1.0
]