data_[Ag1S6I2]
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 [P-1]
_cell_length_a [5.5755]
_cell_length_b [7.0136]
_cell_length_c [8.2014]
_cell_angle_alpha [85.1431]
_cell_angle_beta [74.6332]
_cell_angle_gamma [86.0802]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag(S3I)2]
_chemical_formula_sum '[Ag1 S6 I2]'
_cell_volume [307.7876]
_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
[
  Ag  Ag0  1  0.0000  0.0000  0.5000  1
  S  S1  2  0.0315  0.8965  0.7824  1
  S  S2  2  0.1622  0.3561  0.7927  1
  S  S3  2  0.2821  0.1004  0.6925  1
  I  I4  2  0.2747  0.5849  0.2597  1
]