data_[K4Mn4Fe4Cl20]
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 [C2/c]
_cell_length_a [8.7558]
_cell_length_b [11.5611]
_cell_length_c [9.2884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMnFeCl5]
_chemical_formula_sum '[K4 Mn4 Fe4 Cl20]'
_cell_volume [870.1947]
_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
[
  K  K0  4  0.0000  0.3393  0.7500  1.0
  Mn  Mn1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.3155  0.2500  1.0
  Cl  Cl3  8  0.1093  0.2021  0.1081  1.0
  Cl  Cl4  8  0.1874  0.4335  0.4331  1.0
  Cl  Cl5  4  0.0000  0.0696  0.7500  1.0
]