data_[Ag4Au4Se8]
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 [8.5633]
_cell_length_b [10.4697]
_cell_length_c [4.2082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgAuSe2]
_chemical_formula_sum '[Ag4 Au4 Se8]'
_cell_volume [350.2911]
_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  4  0.0000  0.1146  0.2500  1
  Au  Au1  4  0.0000  0.3893  0.2500  1
  Se  Se2  8  0.2403  0.1376  0.8879  1
]