data_[K6Rb4Ba2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2927]
_cell_length_b [4.4682]
_cell_length_c [9.5854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Rb2BaCl6]
_chemical_formula_sum '[K6 Rb4 Ba2 Cl12]'
_cell_volume [843.8698]
_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
[
  Rb  Rb0  4  0.1671  0.0000  0.3352  1.0
  K  K1  4  0.1679  0.0000  0.8318  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba3  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  4  0.0032  0.0000  0.7438  1.0
  Cl  Cl5  4  0.1630  0.5000  0.0712  1.0
  Cl  Cl6  4  0.1641  0.5000  0.5916  1.0
]