data_[Ca4Cu8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.7748]
_cell_length_b [10.5754]
_cell_length_c [7.0453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca(CuCl3)2]
_chemical_formula_sum '[Ca4 Cu8 Cl24]'
_cell_volume [984.4210]
_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
[
  Ca  Ca0  4  0.0000  0.1348  0.7500  1
  Cu  Cu1  8  0.2152  0.4308  0.7616  1
  Cl  Cl2  8  0.0952  0.3058  0.5765  1
  Cl  Cl3  8  0.1115  0.0641  0.1364  1
  Cl  Cl4  8  0.1902  0.3966  0.0602  1
]