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 [4.2305]
_cell_length_b [7.3712]
_cell_length_c [10.0030]
_cell_angle_alpha [101.4748]
_cell_angle_beta [91.2710]
_cell_angle_gamma [90.0257]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag(S3I)2]
_chemical_formula_sum '[Ag1 S6 I2]'
_cell_volume [305.6184]
_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  0.0000  1.0
  S  S1  2  0.0966  0.5205  0.3155  1.0
  S  S2  2  0.1017  0.2658  0.5465  1.0
  S  S3  2  0.1092  0.7145  0.6393  1.0
  I  I4  2  0.4992  0.2505  0.9862  1.0
]