data_[Cs2Rb4Cu4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4276]
_cell_length_b [7.2917]
_cell_length_c [9.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRb2(CuCl3)2]
_chemical_formula_sum '[Cs2 Rb4 Cu4 Cl12]'
_cell_volume [776.5435]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1.0
  Rb  Rb1  4  0.1843  0.5000  0.1371  1.0
  Cu  Cu2  4  0.0339  0.0000  0.2963  1.0
  Cl  Cl3  8  0.0587  0.2483  0.8262  1.0
  Cl  Cl4  4  0.1846  0.0000  0.5045  1.0
]