data_[Cs6K2Rb4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.0371]
_cell_length_b [4.8243]
_cell_length_c [9.6600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3KRb2Cl6]
_chemical_formula_sum '[Cs6 K2 Rb4 Cl12]'
_cell_volume [953.9914]
_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  4  0.1670  0.0000  0.8341  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Rb  Rb2  4  0.1658  0.0000  0.3315  1.0
  K  K3  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  4  0.0025  0.0000  0.2336  1.0
  Cl  Cl5  4  0.1600  0.5000  0.0887  1.0
  Cl  Cl6  4  0.1698  0.5000  0.5752  1.0
]