data_[Cs4K6In2Br12]
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 [C2/m]
_cell_length_a [21.4178]
_cell_length_b [4.8843]
_cell_length_c [9.8421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K3InBr6]
_chemical_formula_sum '[Cs4 K6 In2 Br12]'
_cell_volume [1000.0839]
_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  0.1656  0.0000  0.3281  1.0
  K  K1  4  0.1654  0.0000  0.8344  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0055  0.0000  0.7552  1.0
  Br  Br5  4  0.1601  0.5000  0.5966  1.0
  Br  Br6  4  0.1659  0.5000  0.0632  1.0
]