data_[Cs4K4In4Br12]
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 [20.8935]
_cell_length_b [5.3279]
_cell_length_c [9.9318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsKInBr3]
_chemical_formula_sum '[Cs4 K4 In4 Br12]'
_cell_volume [1041.9055]
_cell_formula_units_Z [4]
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  0.1547  0.5000  0.0640  1.0
  K  K1  4  0.1633  0.5000  0.5456  1.0
  In  In2  4  0.0093  0.0000  0.3395  1.0
  Br  Br3  4  0.0127  0.5000  0.2057  1.0
  Br  Br4  4  0.1514  0.0000  0.7782  1.0
  Br  Br5  4  0.1726  0.0000  0.3371  1.0
]