data_[Ag2S8I2]
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 [5.3261]
_cell_length_b [7.3355]
_cell_length_c [10.5965]
_cell_angle_alpha [93.8038]
_cell_angle_beta [93.8864]
_cell_angle_gamma [106.0263]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgS4I]
_chemical_formula_sum '[Ag2 S8 I2]'
_cell_volume [395.4335]
_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  2  0.3999  0.2819  0.9080  1
  S  S1  2  0.0602  0.1340  0.5156  1
  S  S2  2  0.0904  0.9099  0.8646  1
  S  S3  2  0.1487  0.5429  0.9479  1
  S  S4  2  0.2639  0.1064  0.1010  1
  I  I5  2  0.4511  0.6564  0.3323  1
]