data_[La12Tl2Au2]
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 [C2/m]
_cell_length_a [15.6673]
_cell_length_b [5.7735]
_cell_length_c [5.9743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TlAu]
_chemical_formula_sum '[La12 Tl2 Au2]'
_cell_volume [510.1253]
_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
[
  La  La0  4  0.1127  0.5000  0.1105  1.0
  La  La1  4  0.1161  0.0000  0.6490  1.0
  La  La2  4  0.2327  0.0000  0.3057  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]