data_[La16Pt2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2272]
_cell_length_b [5.3022]
_cell_length_c [7.0729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8PtAu2]
_chemical_formula_sum '[La16 Pt2 Au4]'
_cell_volume [681.2792]
_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  0.0208  0.0000  0.7940  1.0
  La  La1  4  0.0901  0.5000  0.4632  1.0
  La  La2  4  0.1682  0.5000  0.0112  1.0
  La  La3  4  0.2028  0.0000  0.3410  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1702  0.0000  0.7403  1.0
]