data_[As8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1155]
_cell_length_b [6.9169]
_cell_length_c [7.3113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [As2Se5]
_chemical_formula_sum '[As8 Se20]'
_cell_volume [708.8826]
_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
[
  As  As0  8  0.1425  0.2224  0.8663  1
  Se  Se1  8  0.0693  0.0839  0.4613  1
  Se  Se2  8  0.1828  0.3806  0.1744  1
  Se  Se3  4  0.0000  0.4497  0.7500  1
]