data_[Tl2Si2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4257]
_cell_length_b [6.2809]
_cell_length_c [6.3602]
_cell_angle_alpha [98.1284]
_cell_angle_beta [110.2035]
_cell_angle_gamma [110.1441]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSiAu]
_chemical_formula_sum '[Tl2 Si2 Au2]'
_cell_volume [148.8166]
_cell_formula_units_Z [2]
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  0.2089  0.6012  0.8038  1.0
  Si  Si1  2  0.0461  0.9241  0.1652  1.0
  Au  Au2  2  0.3550  0.0590  0.6529  1.0
]