data_[Tl2In1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2432]
_cell_length_b [4.0147]
_cell_length_c [6.8630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl2InAu]
_chemical_formula_sum '[Tl2 In1 Au1]'
_cell_volume [113.5311]
_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  0.2746  0.5000  0.6861  1.0
  Tl  Tl1  1  0.9533  0.0000  0.0247  1.0
  In  In2  1  0.5442  0.5000  0.2455  1.0
  Au  Au3  1  0.7279  0.0000  0.5437  1.0
]