data_[Tl4In4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0210]
_cell_length_b [7.3581]
_cell_length_c [7.7385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlInAu3]
_chemical_formula_sum '[Tl4 In4 Au12]'
_cell_volume [456.6192]
_cell_formula_units_Z [4]
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  0.4929  0.6498  0.6746  1.0
  In  In1  4  0.0936  0.2444  0.4997  1.0
  Au  Au2  4  0.1031  0.5475  0.7465  1.0
  Au  Au3  4  0.2187  0.5991  0.3887  1.0
  Au  Au4  4  0.3256  0.5318  0.0372  1.0
]