data_[As6Se8]
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/m]
_cell_length_a [6.7746]
_cell_length_b [3.9688]
_cell_length_c [13.2070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As3Se4]
_chemical_formula_sum '[As6 Se8]'
_cell_volume [350.5662]
_cell_formula_units_Z [2]
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  0.1076  0.5000  0.7378  1.0
  As  As1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1161  0.0000  0.3642  1.0
  Se  Se3  4  0.2071  0.5000  0.1194  1.0
]