data_[K4Cu2H2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8221]
_cell_length_b [6.1160]
_cell_length_c [11.3500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2CuHCl6]
_chemical_formula_sum '[K4 Cu2 H2 Cl12]'
_cell_volume [558.3318]
_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  0.2693  0.0017  0.2832  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  H  H2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1077  0.5047  0.2108  1.0
  Cl  Cl4  4  0.1674  0.2342  0.0046  1.0
  Cl  Cl5  4  0.4202  0.6907  0.5477  1.0
]