data_[Au16Se12]
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 [10.8089]
_cell_length_b [19.1007]
_cell_length_c [17.9509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Au4Se3]
_chemical_formula_sum '[Au16 Se12]'
_cell_volume [3706.0861]
_cell_formula_units_Z [4]
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  4  0.0147  0.3338  0.4231  1
  Au  Au1  4  0.0481  0.2150  0.5107  1
  Au  Au2  4  0.1607  0.4132  0.5298  1
  Au  Au3  4  0.3065  0.1303  0.5046  1
  Se  Se4  4  0.0947  0.0927  0.4962  1
  Se  Se5  4  0.4996  0.1696  0.5705  1
  Se  Se6  2  0.3269  0.5000  0.5240  1
  Se  Se7  2  0.4242  0.5000  0.4061  1
]