data_[Cs4Rb4Cu4Cl12]
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 [16.4816]
_cell_length_b [5.6848]
_cell_length_c [9.3653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRbCuCl3]
_chemical_formula_sum '[Cs4 Rb4 Cu4 Cl12]'
_cell_volume [842.1561]
_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
[
  Cs  Cs0  4  0.1438  0.5000  0.0711  1.0
  Rb  Rb1  4  0.1422  0.5000  0.5707  1.0
  Cu  Cu2  4  0.0038  0.0000  0.2607  1.0
  Cl  Cl3  4  0.0013  0.5000  0.2613  1.0
  Cl  Cl4  4  0.1361  0.0000  0.8086  1.0
  Cl  Cl5  4  0.1436  0.0000  0.3291  1.0
]