data_[K4Zn2Cu4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  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 [12.5133]
_cell_length_b [7.0894]
_cell_length_c [7.2489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Zn(CuCl3)2]
_chemical_formula_sum '[K4 Zn2 Cu4 Cl12]'
_cell_volume [551.7933]
_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  0.2292  0.5000  0.2010  1
  Zn  Zn1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  4  0.0579  0.0000  0.2210  1
  Cl  Cl3  8  0.0457  0.2609  0.7813  1
  Cl  Cl4  4  0.2361  0.5000  0.6424  1
]