data_[Tl10Hg4Au10]
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 [C2/m]
_cell_length_a [15.6645]
_cell_length_b [3.6748]
_cell_length_c [11.8709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5Hg2Au5]
_chemical_formula_sum '[Tl10 Hg4 Au10]'
_cell_volume [594.5551]
_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  0.0923  0.5000  0.2690  1
  Tl  Tl1  4  0.1641  0.5000  0.0359  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Hg  Hg3  4  0.0991  0.0000  0.7689  1
  Au  Au4  4  0.1807  0.0000  0.5110  1
  Au  Au5  4  0.2332  0.5000  0.7199  1
  Au  Au6  2  0.0000  0.0000  0.0000  1
]