data_[Cs2In2Ag2Cl12]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1886]
_cell_length_b [11.3425]
_cell_length_c [7.7794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsInAgCl6]
_chemical_formula_sum '[Cs2 In2 Ag2 Cl12]'
_cell_volume [632.5832]
_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  0.9814  0.0000  1.0
  In  In1  2  0.0000  0.3231  0.5000  1.0
  Ag  Ag2  2  0.0000  0.6667  0.5000  1.0
  Cl  Cl3  4  0.1156  0.5019  0.6923  1.0
  Cl  Cl4  4  0.1641  0.1934  0.7163  1.0
  Cl  Cl5  4  0.1939  0.8189  0.6667  1.0
]