data_[Cs2In3Br6]
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 [P-62m]
_cell_length_a [9.0464]
_cell_length_b [9.0464]
_cell_length_c [5.8590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cs2(InBr2)3]
_chemical_formula_sum '[Cs2 In3 Br6]'
_cell_volume [415.2468]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0000  1
  In  In1  3  0.0000  0.2308  0.5000  1
  Br  Br2  3  0.0000  0.2418  0.0000  1
  Br  Br3  3  0.0000  0.5622  0.5000  1
]