data_[Cs9Cu6Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1209]
_cell_length_b [7.1209]
_cell_length_c [29.4909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3(CuCl4)2]
_chemical_formula_sum '[Cs9 Cu6 Cl24]'
_cell_volume [1295.0427]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.2097  1.0
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  6  0.0000  0.0000  0.4050  1.0
  Cl  Cl3  18  0.0007  0.5003  0.2314  1.0
  Cl  Cl4  6  0.0000  0.0000  0.3298  1.0
]