data_[Ag18Te36Au3]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.4483]
_cell_length_b [13.4483]
_cell_length_c [11.2183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag6Te12Au]
_chemical_formula_sum '[Ag18 Te36 Au3]'
_cell_volume [1757.0806]
_cell_formula_units_Z [3]
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  18  0.0584  0.5633  0.3080  1
  Te  Te1  18  0.0524  0.8342  0.8933  1
  Te  Te2  18  0.1009  0.8716  0.3903  1
  Au  Au3  3  0.0000  0.0000  0.0000  1
]