data_[Li4Ca4Cu8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  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 [12.3904]
_cell_length_b [11.5026]
_cell_length_c [6.6934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCa(CuCl3)2]
_chemical_formula_sum '[Li4 Ca4 Cu8 Cl24]'
_cell_volume [936.4821]
_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
[
  Li  Li0  4  0.0000  0.2777  0.7500  1.0
  Ca  Ca1  4  0.0000  0.1002  0.2500  1.0
  Cu  Cu2  8  0.1764  0.4198  0.2977  1.0
  Cl  Cl3  8  0.1177  0.2646  0.0969  1.0
  Cl  Cl4  8  0.1195  0.0871  0.6377  1.0
  Cl  Cl5  8  0.1385  0.4156  0.6139  1.0
]