data_[Cs2Rb2Ba2Br8]
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 [I4mm]
_cell_length_a [6.3028]
_cell_length_b [6.3028]
_cell_length_c [18.2018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CsRbBaBr4]
_chemical_formula_sum '[Cs2 Rb2 Ba2 Br8]'
_cell_volume [723.0690]
_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  0.0000  0.6400  1.0
  Rb  Rb1  2  0.0000  0.0000  0.3607  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0022  1.0
  Br  Br3  4  0.0000  0.5000  0.4955  1.0
  Br  Br4  2  0.0000  0.0000  0.1771  1.0
  Br  Br5  2  0.0000  0.0000  0.8289  1.0
]