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 [P2/m]
_cell_length_a [5.7767]
_cell_length_b [18.9255]
_cell_length_c [9.0113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Au2Se3]
_chemical_formula_sum '[Au4 Se6]'
_cell_volume [982.6626]
_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  0.2513  0.5000  0.7210  1
  Au  Au1  1  0.0000  0.5000  0.0000  1
  Au  Au2  1  0.5000  0.5000  0.0000  1
  Se  Se3  4  0.1846  0.3963  0.5457  1
  Se  Se4  2  0.2788  0.5000  0.2271  1
]