data_[Tl3Ag2Au1Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.2537]
_cell_length_b [7.2537]
_cell_length_c [8.8855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl3Ag2AuCl9]
_chemical_formula_sum '[Tl3 Ag2 Au1 Cl9]'
_cell_volume [404.8807]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  2  0.3333  0.6667  0.7007  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.3333  0.6667  0.1716  1
  Au  Au3  1  0.0000  0.0000  0.5000  1
  Cl  Cl4  6  0.1634  0.3269  0.3365  1
  Cl  Cl5  3  0.0000  0.5000  0.0000  1
]