data_[Cs6In2Cl8]
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 [Pmn2_1]
_cell_length_a [11.9264]
_cell_length_b [9.7305]
_cell_length_c [6.9960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cs3InCl4]
_chemical_formula_sum '[Cs6 In2 Cl8]'
_cell_volume [811.8808]
_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  0.2469  0.6752  0.0503  1.0
  Cs  Cs1  2  0.0000  0.8467  0.5513  1.0
  In  In2  2  0.0000  0.1816  0.0555  1.0
  Cl  Cl3  4  0.2460  0.3213  0.0499  1.0
  Cl  Cl4  2  0.0000  0.1863  0.6574  1.0
  Cl  Cl5  2  0.0000  0.8651  0.0507  1.0
]