data_[La2Tl4Au2]
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 [6.2800]
_cell_length_b [12.1856]
_cell_length_c [4.3723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTl2Au]
_chemical_formula_sum '[La2 Tl4 Au2]'
_cell_volume [239.3124]
_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  2  0.0000  0.5000  0.5000  1
  Tl  Tl1  4  0.2500  0.2500  0.0000  1
  Au  Au2  2  0.0000  0.0000  0.5000  1
]