data_[Cs2In4Sn4Br14]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.9049]
_cell_length_b [25.2146]
_cell_length_c [6.5702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsIn2Sn2Br7]
_chemical_formula_sum '[Cs2 In4 Sn4 Br14]'
_cell_volume [978.2264]
_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  2  0.0000  0.0000  0.0277  1.0
  In  In1  4  0.0000  0.2871  0.5808  1.0
  Sn  Sn2  4  0.0000  0.3867  0.9913  1.0
  Br  Br3  4  0.0000  0.1149  0.4508  1.0
  Br  Br4  4  0.0000  0.2670  0.1166  1.0
  Br  Br5  4  0.0000  0.4091  0.3975  1.0
  Br  Br6  2  0.0000  0.5000  0.8982  1.0
]