data_[Tl2In2Au2]
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 [P-1]
_cell_length_a [3.4032]
_cell_length_b [6.7533]
_cell_length_c [7.1518]
_cell_angle_alpha [74.7424]
_cell_angle_beta [86.3706]
_cell_angle_gamma [75.5342]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlInAu]
_chemical_formula_sum '[Tl2 In2 Au2]'
_cell_volume [153.5487]
_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  0.3567  0.7885  0.4282  1.0
  In  In1  2  0.3520  0.7992  0.9314  1.0
  Au  Au2  2  0.0009  0.4950  0.2248  1.0
]