data_[Ag2Se8I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2265]
_cell_length_b [7.2349]
_cell_length_c [8.1382]
_cell_angle_alpha [66.5519]
_cell_angle_beta [67.7596]
_cell_angle_gamma [86.5909]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgSe4I]
_chemical_formula_sum '[Ag2 Se8 I2]'
_cell_volume [359.2234]
_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  0.2860  0.9211  0.9641  1
  Se  Se1  2  0.0592  0.3129  0.8881  1
  Se  Se2  2  0.1369  0.7557  0.7914  1
  Se  Se3  2  0.3632  0.8659  0.2721  1
  Se  Se4  2  0.4838  0.4266  0.7612  1
  I  I5  2  0.2008  0.2917  0.4192  1
]