data_[K4Y4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7112]
_cell_length_b [11.8032]
_cell_length_c [9.9407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KYCuCl5]
_chemical_formula_sum '[K4 Y4 Cu4 Cl20]'
_cell_volume [940.6556]
_cell_formula_units_Z [4]
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  0.0000  0.3508  0.7500  1.0
  Y  Y1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3114  0.2500  1.0
  Cl  Cl3  8  0.1104  0.2019  0.1146  1.0
  Cl  Cl4  8  0.1871  0.4335  0.4271  1.0
  Cl  Cl5  4  0.0000  0.0832  0.7500  1.0
]