data_[K4La4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [8.8899]
_cell_length_b [12.0305]
_cell_length_c [10.2977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLaCuCl5]
_chemical_formula_sum '[K4 La4 Cu4 Cl20]'
_cell_volume [1015.8739]
_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  0.3578  0.7500  1
  La  La1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.3123  0.2500  1
  Cl  Cl3  8  0.1206  0.2027  0.1298  1
  Cl  Cl4  8  0.1773  0.4309  0.4247  1
  Cl  Cl5  4  0.0000  0.0957  0.7500  1
]