data_[Cs2Ag2I2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.9749]
_cell_length_b [11.6635]
_cell_length_c [6.6479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsAgICl6]
_chemical_formula_sum '[Cs2 Ag2 I2 Cl12]'
_cell_volume [746.3293]
_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  0.9714  0.5000  1.0
  Ag  Ag1  2  0.0000  0.6704  0.0000  1.0
  I  I2  2  0.0000  0.3357  0.0000  1.0
  Cl  Cl3  4  0.1354  0.5069  0.2206  1.0
  Cl  Cl4  4  0.1485  0.1923  0.2262  1.0
  Cl  Cl5  4  0.1576  0.8119  0.1938  1.0
]