data_[Cs6Rb2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.3695]
_cell_length_b [14.6540]
_cell_length_c [5.1796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cs3RbBr4]
_chemical_formula_sum '[Cs6 Rb2 Br8]'
_cell_volume [787.0613]
_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  0.2500  0.2500  0.0000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Rb  Rb2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0000  0.2452  0.5000  1.0
  Br  Br4  4  0.2411  0.0000  0.0000  1.0
]