data_[Ag8As8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.0300]
_cell_length_b [6.7994]
_cell_length_c [8.3962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ag2As2Se5]
_chemical_formula_sum '[Ag8 As8 Se20]'
_cell_volume [915.1379]
_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  8  0.1214  0.0045  0.5548  1.0
  As  As1  4  0.0000  0.0000  0.0066  1.0
  As  As2  4  0.2500  0.0026  0.0703  1.0
  Se  Se3  8  0.0571  0.7144  0.7073  1.0
  Se  Se4  8  0.1436  0.1668  0.9041  1.0
  Se  Se5  4  0.2500  0.6905  0.9268  1.0
]