data_[Ag12Au8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1461]
_cell_length_b [11.2149]
_cell_length_c [5.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag3(AuSe2)2]
_chemical_formula_sum '[Ag12 Au8 Se16]'
_cell_volume [805.7449]
_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
[
  Ag  Ag0  8  0.1102  0.1255  0.0081  1
  Ag  Ag1  4  0.0000  0.3346  0.7500  1
  Au  Au2  8  0.1631  0.3685  0.4611  1
  Se  Se3  8  0.1002  0.1512  0.4994  1
  Se  Se4  8  0.1819  0.4064  0.9791  1
]