data_[K4Fe4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1327]
_cell_length_b [11.7502]
_cell_length_c [8.3666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KFeCuCl5]
_chemical_formula_sum '[K4 Fe4 Cu4 Cl20]'
_cell_volume [855.5872]
_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  0.3422  0.2500  1.0
  Fe  Fe1  4  0.0000  0.3113  0.7500  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1211  0.1972  0.6180  1.0
  Cl  Cl4  8  0.1612  0.4203  0.9405  1.0
  Cl  Cl5  4  0.0000  0.0688  0.2500  1.0
]