data_[Cs2In4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3383]
_cell_length_b [11.5334]
_cell_length_c [8.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CsIn2Cl3]
_chemical_formula_sum '[Cs2 In4 Cl6]'
_cell_volume [428.1068]
_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  0.1103  0.4673  1.0
  In  In1  2  0.0000  0.2787  0.0027  1.0
  In  In2  2  0.5000  0.4822  0.5504  1.0
  Cl  Cl3  2  0.0000  0.3992  0.3457  1.0
  Cl  Cl4  2  0.5000  0.1093  0.1279  1.0
  Cl  Cl5  2  0.5000  0.2739  0.7073  1.0
]