data_[Cs3K6In3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2159]
_cell_length_b [8.2159]
_cell_length_c [21.5231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsK2InBr6]
_chemical_formula_sum '[Cs3 K6 In3 Br18]'
_cell_volume [1258.1920]
_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  0.1892  1.0
  K  K1  3  0.0000  0.0000  0.4722  1.0
  K  K2  3  0.0000  0.0000  0.9876  1.0
  In  In3  3  0.0000  0.0000  0.6738  1.0
  Br  Br4  9  0.0115  0.7420  0.5954  1.0
  Br  Br5  9  0.0189  0.2872  0.7438  1.0
]