data_[Tl10Hg8Au4]
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 [Pbam]
_cell_length_a [7.9022]
_cell_length_b [17.9623]
_cell_length_c [4.2850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tl5(Hg2Au)2]
_chemical_formula_sum '[Tl10 Hg8 Au4]'
_cell_volume [608.2296]
_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  4  0.1107  0.9172  0.0000  1
  Tl  Tl1  4  0.2297  0.7121  0.0000  1
  Tl  Tl2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  4  0.0926  0.3546  0.5000  1
  Hg  Hg4  4  0.2181  0.0624  0.5000  1
  Au  Au5  4  0.0266  0.8017  0.5000  1
]