data_[Cs4Rb6Ba2Br12]
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
  Ba  0.8900  2.1500  1.4900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.1075]
_cell_length_b [5.0917]
_cell_length_c [10.3559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Rb3BaBr6]
_chemical_formula_sum '[Cs4 Rb6 Ba2 Br12]'
_cell_volume [1136.8856]
_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  0.1661  0.0000  0.3387  1.0
  Rb  Rb1  4  0.1683  0.0000  0.8331  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0040  0.0000  0.7879  1.0
  Br  Br5  4  0.1548  0.5000  0.0682  1.0
  Br  Br6  4  0.1639  0.5000  0.5969  1.0
]