data_[Ag12S4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2512]
_cell_length_b [4.2558]
_cell_length_c [9.0009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag6S2I]
_chemical_formula_sum '[Ag12 S4 I2]'
_cell_volume [466.1997]
_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  0.0565  0.0000  0.8591  1
  Ag  Ag1  4  0.1461  0.5000  0.7125  1
  Ag  Ag2  4  0.2046  0.5000  0.0717  1
  S  S3  4  0.1464  0.0000  0.1733  1
  I  I4  2  0.0000  0.0000  0.5000  1
]