data_[Tl1Ag4Au8]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9661]
_cell_length_b [4.7251]
_cell_length_c [18.2027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl(AgAu2)4]
_chemical_formula_sum '[Tl1 Ag4 Au8]'
_cell_volume [255.1171]
_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  1  0.0000  0.0000  0.6568  1
  Ag  Ag1  1  0.0000  0.0000  0.9366  1
  Ag  Ag2  1  0.0000  0.5000  0.1224  1
  Ag  Ag3  1  0.5000  0.0000  0.3570  1
  Ag  Ag4  1  0.5000  0.5000  0.5471  1
  Au  Au5  1  0.0000  0.0000  0.2164  1
  Au  Au6  1  0.0000  0.0000  0.4976  1
  Au  Au7  1  0.0000  0.5000  0.4057  1
  Au  Au8  1  0.0000  0.5000  0.8367  1
  Au  Au9  1  0.5000  0.0000  0.0756  1
  Au  Au10  1  0.5000  0.0000  0.7991  1
  Au  Au11  1  0.5000  0.5000  0.2642  1
  Au  Au12  1  0.5000  0.5000  0.9818  1
]