data_[Ag20Se8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7704]
_cell_length_b [6.8115]
_cell_length_c [5.9383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag5Se2]
_chemical_formula_sum '[Ag20 Se8]'
_cell_volume [577.0444]
_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  0.0938  0.0016  0.9502  1.0
  Ag  Ag1  8  0.1993  0.3035  0.2559  1.0
  Ag  Ag2  4  0.0000  0.3559  0.2500  1.0
  Se  Se3  8  0.1255  0.3156  0.7232  1.0
]