data_[Cs2In2Cu2Cl12]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0877]
_cell_length_b [10.7976]
_cell_length_c [7.7756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsInCuCl6]
_chemical_formula_sum '[Cs2 In2 Cu2 Cl12]'
_cell_volume [591.1595]
_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  0.9626  0.5000  1.0
  In  In1  2  0.0000  0.3229  0.0000  1.0
  Cu  Cu2  2  0.0000  0.6694  0.0000  1.0
  Cl  Cl3  4  0.1104  0.5151  0.1894  1.0
  Cl  Cl4  4  0.1715  0.1927  0.2258  1.0
  Cl  Cl5  4  0.1871  0.8175  0.1524  1.0
]