data_[K3Cd2Cu1Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.2318]
_cell_length_b [7.2318]
_cell_length_c [8.9088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Cd2CuCl9]
_chemical_formula_sum '[K3 Cd2 Cu1 Cl9]'
_cell_volume [403.4998]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3365  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.3333  0.6667  0.8227  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  6  0.1603  0.3206  0.6569  1.0
  Cl  Cl5  3  0.0000  0.5000  0.0000  1.0
]