data_[K4Mn2Fe2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [I4/m]
_cell_length_a [6.9839]
_cell_length_b [6.9839]
_cell_length_c [10.1620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [K2MnFeCl6]
_chemical_formula_sum '[K4 Mn2 Fe2 Cl12]'
_cell_volume [495.6552]
_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
[
  K  K0  4  0.0000  0.5000  0.2500  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1989  0.7022  0.0000  1.0
  Cl  Cl4  4  0.0000  0.0000  0.2469  1.0
]