data_[Ag6I2Cl8]
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 [Pmn2_1]
_cell_length_a [8.7069]
_cell_length_b [7.9343]
_cell_length_c [7.0561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ag3ICl4]
_chemical_formula_sum '[Ag6 I2 Cl8]'
_cell_volume [487.4543]
_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
[
  Ag  Ag0  4  0.2378  0.2958  0.5304  1.0
  Ag  Ag1  2  0.0000  0.8473  0.4355  1.0
  I  I2  2  0.0000  0.3529  0.1055  1.0
  Cl  Cl3  4  0.2026  0.6292  0.6114  1.0
  Cl  Cl4  2  0.0000  0.1259  0.6127  1.0
  Cl  Cl5  2  0.0000  0.8407  0.0780  1.0
]