data_[K6Cu2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.2271]
_cell_length_b [8.2278]
_cell_length_c [6.3789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K3CuCl4]
_chemical_formula_sum '[K6 Cu2 Cl8]'
_cell_volume [536.7620]
_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  0.2276  0.6677  0.0647  1.0
  K  K1  2  0.0000  0.8820  0.5607  1.0
  Cu  Cu2  2  0.0000  0.2017  0.9881  1.0
  Cl  Cl3  4  0.2145  0.2926  0.0761  1.0
  Cl  Cl4  2  0.0000  0.2394  0.6213  1.0
  Cl  Cl5  2  0.0000  0.9067  0.0634  1.0
]