data_[Tl6Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4049]
_cell_length_b [7.6904]
_cell_length_c [9.3803]
_cell_angle_alpha [85.8209]
_cell_angle_beta [78.7996]
_cell_angle_gamma [77.0684]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl3Au5]
_chemical_formula_sum '[Tl6 Au10]'
_cell_volume [372.6034]
_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  2  0.0578  0.8289  0.1262  1
  Tl  Tl1  2  0.3045  0.3411  0.0733  1
  Tl  Tl2  2  0.4493  0.9756  0.3097  1
  Au  Au3  2  0.0195  0.8144  0.5171  1
  Au  Au4  2  0.0246  0.5246  0.3379  1
  Au  Au5  2  0.1808  0.7873  0.8006  1
  Au  Au6  2  0.4497  0.3227  0.4675  1
  Au  Au7  2  0.4506  0.4138  0.7640  1
]