data_[As8Se16]
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]
_cell_length_a [15.4559]
_cell_length_b [4.1675]
_cell_length_c [12.5845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AsSe2]
_chemical_formula_sum '[As8 Se16]'
_cell_volume [710.3452]
_cell_formula_units_Z [8]
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  4  0.1392  0.4085  0.9581  1.0
  As  As1  4  0.1732  0.4412  0.5431  1.0
  Se  Se2  4  0.0323  0.0607  0.4311  1.0
  Se  Se3  4  0.0861  0.0268  0.0689  1.0
  Se  Se4  4  0.1845  0.5472  0.3617  1.0
  Se  Se5  4  0.2066  0.0158  0.8609  1.0
]