data_[Tl4Bi4Au6]
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 [14.4714]
_cell_length_b [4.6149]
_cell_length_c [6.3303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Bi2Au3]
_chemical_formula_sum '[Tl4 Bi4 Au6]'
_cell_volume [413.5473]
_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  0.1136  0.5000  0.2618  1
  Bi  Bi1  4  0.1156  0.0000  0.6954  1
  Au  Au2  4  0.2142  0.5000  0.8857  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
]