data_[La16Tl8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.3256]
_cell_length_b [9.7769]
_cell_length_c [17.0044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La2TlAu3]
_chemical_formula_sum '[La16 Tl8 Au24]'
_cell_volume [1217.8920]
_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
[
  La  La0  8  0.2408  0.0000  0.0000  1
  La  La1  8  0.2500  0.2500  0.2500  1
  Tl  Tl2  8  0.0000  0.0000  0.3341  1
  Au  Au3  16  0.0000  0.2484  0.0824  1
  Au  Au4  8  0.0000  0.0000  0.1662  1
]