data_[Tl3Hg2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7984]
_cell_length_b [6.4841]
_cell_length_c [7.5989]
_cell_angle_alpha [90.1949]
_cell_angle_beta [91.9697]
_cell_angle_gamma [105.7768]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl3(HgAu2)2]
_chemical_formula_sum '[Tl3 Hg2 Au4]'
_cell_volume [227.3619]
_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  2  0.4277  0.8560  0.7014  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.2892  0.5796  0.3056  1.0
  Au  Au3  2  0.1267  0.2037  0.5686  1.0
  Au  Au4  2  0.2284  0.4531  0.9087  1.0
]