data_[Ag4Se20]
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 [Cc]
_cell_length_a [11.1832]
_cell_length_b [19.3050]
_cell_length_c [6.9100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [AgSe5]
_chemical_formula_sum '[Ag4 Se20]'
_cell_volume [1276.1505]
_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  0.3505  0.0163  0.7954  1.0
  Se  Se1  4  0.0131  0.3815  0.3445  1.0
  Se  Se2  4  0.0597  0.3471  0.8417  1.0
  Se  Se3  4  0.0853  0.4328  0.1160  1.0
  Se  Se4  4  0.2108  0.0692  0.9705  1.0
  Se  Se5  4  0.3207  0.1761  0.1317  1.0
]