data_[Cs3In3Cu6Br24]
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
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.8413]
_cell_length_b [6.8413]
_cell_length_c [29.9130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsIn(CuBr4)2]
_chemical_formula_sum '[Cs3 In3 Cu6 Br24]'
_cell_volume [1212.4580]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1.0
  In  In1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  6  0.0000  0.0000  0.2593  1.0
  Br  Br3  18  0.0035  0.6577  0.7203  1.0
  Br  Br4  6  0.0000  0.0000  0.1803  1.0
]