data_[Cs6Rb2In4Br12]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7234]
_cell_length_b [15.1126]
_cell_length_c [8.6789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Rb(InBr3)2]
_chemical_formula_sum '[Cs6 Rb2 In4 Br12]'
_cell_volume [1078.0688]
_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  0.0000  0.1664  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Rb  Rb2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.0000  0.3333  0.0000  1.0
  Br  Br4  8  0.2458  0.1699  0.2280  1.0
  Br  Br5  4  0.2370  0.5000  0.2288  1.0
]