data_[Au4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [17.8886]
_cell_length_b [5.7826]
_cell_length_c [10.3612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Au2Se3]
_chemical_formula_sum '[Au4 Se6]'
_cell_volume [1071.7933]
_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
[
  Au  Au0  2  0.4715  0.3264  0.1865  1
  Au  Au1  2  0.5293  0.4875  0.9270  1
  Se  Se2  2  0.4321  0.3025  0.7896  1
  Se  Se3  2  0.4735  0.0664  0.6026  1
  Se  Se4  2  0.5936  0.2100  0.5525  1
]