data_[Tl2Ag1Au1]
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 [P4mm]
_cell_length_a [3.6275]
_cell_length_b [3.6275]
_cell_length_c [7.4326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Tl2AgAu]
_chemical_formula_sum '[Tl2 Ag1 Au1]'
_cell_volume [97.8052]
_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  0.9566  1.0
  Tl  Tl1  1  0.5000  0.5000  0.2934  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5346  1.0
  Au  Au3  1  0.5000  0.5000  0.7154  1.0
]