data_[Tl4Hg5Au3]
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 [5.3968]
_cell_length_b [7.8235]
_cell_length_c [8.5411]
_cell_angle_alpha [69.1948]
_cell_angle_beta [73.7969]
_cell_angle_gamma [89.6706]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl4Hg5Au3]
_chemical_formula_sum '[Tl4 Hg5 Au3]'
_cell_volume [321.9611]
_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  0.0944  0.9467  0.7918  1
  Tl  Tl1  2  0.1769  0.4254  0.6489  1
  Hg  Hg2  2  0.3439  0.2344  0.3518  1
  Hg  Hg3  2  0.4373  0.7998  0.1242  1
  Hg  Hg4  1  0.0000  0.5000  0.0000  1
  Au  Au5  2  0.2391  0.8297  0.4691  1
  Au  Au6  1  0.5000  0.5000  0.0000  1
]