data_[Ag4I4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [18.2636]
_cell_length_b [3.7355]
_cell_length_c [10.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgICl3]
_chemical_formula_sum '[Ag4 I4 Cl12]'
_cell_volume [688.3546]
_cell_formula_units_Z [4]
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
[
  Ag  Ag0  4  0.1526  0.0000  0.8321  1.0
  I  I1  4  0.1653  0.0000  0.3359  1.0
  Cl  Cl2  4  0.0651  0.5000  0.8388  1.0
  Cl  Cl3  4  0.0956  0.0000  0.4944  1.0
  Cl  Cl4  4  0.2462  0.0000  0.1585  1.0
]