data_[Ag4Se8I24]
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 [Ibam]
_cell_length_a [13.8280]
_cell_length_b [16.5530]
_cell_length_c [8.2633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ag(SeI3)2]
_chemical_formula_sum '[Ag4 Se8 I24]'
_cell_volume [1891.4186]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.2500  1.0
  Se  Se1  8  0.1331  0.2350  0.5000  1.0
  I  I2  8  0.0000  0.2252  0.2500  1.0
  I  I3  8  0.1227  0.4394  0.5000  1.0
  I  I4  8  0.2304  0.1016  0.5000  1.0
]