data_[As2Au6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5309]
_cell_length_b [7.5154]
_cell_length_c [8.4651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AsAu3Se4]
_chemical_formula_sum '[As2 Au6 Se8]'
_cell_volume [479.1036]
_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  2  0.0000  0.2060  0.0276  1.0
  Au  Au1  4  0.1934  0.7829  0.9266  1.0
  Au  Au2  2  0.0000  0.8798  0.6105  1.0
  Se  Se3  4  0.2476  0.3512  0.1603  1.0
  Se  Se4  2  0.0000  0.2000  0.5607  1.0
  Se  Se5  2  0.0000  0.9032  0.1426  1.0
]