data_[Ag36Te21Au3]
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 [12.7999]
_cell_length_b [12.7999]
_cell_length_c [10.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag12Te7Au]
_chemical_formula_sum '[Ag36 Te21 Au3]'
_cell_volume [1451.3944]
_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  0.0400  0.7710  0.2702  1
  Ag  Ag1  18  0.0890  0.5770  0.2384  1
  Te  Te2  18  0.0033  0.8094  0.8402  1
  Te  Te3  3  0.0000  0.0000  0.5000  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]