data_[Ag8Te4Au4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  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 [11.5453]
_cell_length_b [11.0919]
_cell_length_c [8.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.6358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag2TeAuSe4]
_chemical_formula_sum '[Ag8 Te4 Au4 Se16]'
_cell_volume [770.2946]
_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  0.5000  0.0000  1.0
  Ag  Ag1  4  0.2500  0.2500  0.0000  1.0
  Te  Te2  4  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.2500  0.2500  0.5000  1.0
  Se  Se4  8  0.0671  0.2557  0.5740  1.0
  Se  Se5  8  0.2485  0.4788  0.5346  1.0
]