data_[Tl10Bi2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4237]
_cell_length_b [13.9234]
_cell_length_c [6.5206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5BiAu6]
_chemical_formula_sum '[Tl10 Bi2 Au12]'
_cell_volume [614.4507]
_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  0.0000  0.1945  0.5000  1
  Tl  Tl1  4  0.0000  0.3700  0.0000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Au  Au4  8  0.2078  0.1793  0.1871  1
  Au  Au5  4  0.1920  0.0000  0.6753  1
]