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 [Cm]
_cell_length_a [14.5656]
_cell_length_b [3.8116]
_cell_length_c [17.8767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Au2Se3]
_chemical_formula_sum '[Au4 Se6]'
_cell_volume [992.4892]
_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  0.1787  0.0000  0.5145  1
  Au  Au1  2  0.3852  0.5000  0.5180  1
  Se  Se2  2  0.1042  0.5000  0.4395  1
  Se  Se3  2  0.3164  0.0000  0.5944  1
  Se  Se4  2  0.4422  0.0000  0.4335  1
]