data_[K4Ba2Cu4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8474]
_cell_length_b [7.6602]
_cell_length_c [7.9464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ba(CuCl3)2]
_chemical_formula_sum '[K4 Ba2 Cu4 Cl12]'
_cell_volume [684.7812]
_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  0.2274  0.5000  0.1812  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0394  0.0000  0.2118  1.0
  Cl  Cl3  8  0.0722  0.2425  0.8341  1.0
  Cl  Cl4  4  0.2369  0.0000  0.3955  1.0
]