data_[Tl8Sb8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.6709]
_cell_length_b [14.6879]
_cell_length_c [6.6365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [TlSbAu]
_chemical_formula_sum '[Tl8 Sb8 Au8]'
_cell_volume [650.2492]
_cell_formula_units_Z [8]
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  0.0822  0.7954  0.0910  1
  Tl  Tl1  4  0.1250  0.0333  0.3650  1
  Sb  Sb2  4  0.1066  0.5717  0.3570  1
  Sb  Sb3  4  0.1516  0.3190  0.1109  1
  Au  Au4  4  0.0366  0.3915  0.4763  1
  Au  Au5  4  0.0379  0.1422  0.0011  1
]