data_[Tl2In4Au4]
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 [6.5732]
_cell_length_b [6.8571]
_cell_length_c [7.3139]
_cell_angle_alpha [64.1397]
_cell_angle_beta [64.7600]
_cell_angle_gamma [65.9980]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl(InAu)2]
_chemical_formula_sum '[Tl2 In4 Au4]'
_cell_volume [258.2694]
_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  0.0887  0.9033  0.2479  1.0
  In  In1  2  0.2081  0.4545  0.6453  1.0
  In  In2  2  0.4456  0.2065  0.1435  1.0
  Au  Au3  2  0.1621  0.6222  0.9703  1.0
  Au  Au4  2  0.3815  0.8393  0.5247  1.0
]