data_[Cs18In6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.1244]
_cell_length_b [14.1244]
_cell_length_c [16.8968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs3InBr6]
_chemical_formula_sum '[Cs18 In6 Br36]'
_cell_volume [2919.2842]
_cell_formula_units_Z [6]
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  18  0.0470  0.7754  0.7050  1.0
  In  In1  3  0.0000  0.0000  0.0000  1.0
  In  In2  3  0.0000  0.0000  0.5000  1.0
  Br  Br3  18  0.0135  0.8472  0.9073  1.0
  Br  Br4  18  0.0303  0.8582  0.4066  1.0
]