data_[Cs1Ag1I2Cl6]
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 [P-1]
_cell_length_a [7.8517]
_cell_length_b [7.8933]
_cell_length_c [8.0888]
_cell_angle_alpha [116.2799]
_cell_angle_beta [93.8715]
_cell_angle_gamma [107.6500]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAg(ICl3)2]
_chemical_formula_sum '[Cs1 Ag1 I2 Cl6]'
_cell_volume [416.2205]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.5000  0.5000  1.0
  I  I2  2  0.1418  0.8318  0.7085  1.0
  Cl  Cl3  2  0.1029  0.0347  0.2915  1.0
  Cl  Cl4  2  0.3834  0.6801  0.7677  1.0
  Cl  Cl5  2  0.3946  0.6402  0.3307  1.0
]