data_[Tl1W2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  W  2.3600  1.3500  0.7667
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9252]
_cell_length_b [4.2176]
_cell_length_c [6.0420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlW2Au]
_chemical_formula_sum '[Tl1 W2 Au1]'
_cell_volume [74.5387]
_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  0.5216  0.5000  0.2538  1
  W  W1  1  0.1008  0.0000  0.9661  1
  W  W2  1  0.4231  0.5000  0.7686  1
  Au  Au3  1  0.9545  0.0000  0.5114  1
]