data_[Tl24As4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.1070]
_cell_length_b [13.2251]
_cell_length_c [14.9768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tl6AsAu2]
_chemical_formula_sum '[Tl24 As4 Au8]'
_cell_volume [1011.5405]
_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  16  0.0000  0.1427  0.3346  1
  Tl  Tl1  8  0.0000  0.1397  0.0000  1
  As  As2  4  0.0000  0.0000  0.5000  1
  Au  Au3  8  0.0000  0.0000  0.1700  1
]