data_[Cs2Rb2Ca2Br8]
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
  Ca  1.0000  1.8000  1.1400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.7234]
_cell_length_b [5.7234]
_cell_length_c [17.8630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CsRbCaBr4]
_chemical_formula_sum '[Cs2 Rb2 Ca2 Br8]'
_cell_volume [585.1490]
_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  0.6427  1.0
  Rb  Rb1  2  0.0000  0.0000  0.3587  1.0
  Ca  Ca2  2  0.0000  0.0000  0.0006  1.0
  Br  Br3  4  0.0000  0.5000  0.4975  1.0
  Br  Br4  2  0.0000  0.0000  0.1633  1.0
  Br  Br5  2  0.0000  0.0000  0.8397  1.0
]