data_[K4Er4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  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 [8.6776]
_cell_length_b [11.7301]
_cell_length_c [9.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KErCuCl5]
_chemical_formula_sum '[K4 Er4 Cu4 Cl20]'
_cell_volume [922.3822]
_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  0.3494  0.7500  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3105  0.2500  1.0
  Cl  Cl3  8  0.1093  0.2023  0.1113  1.0
  Cl  Cl4  8  0.1892  0.4336  0.4267  1.0
  Cl  Cl5  4  0.0000  0.0805  0.7500  1.0
]