data_[La8Pb8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8828]
_cell_length_b [4.7590]
_cell_length_c [11.8130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pb2Au]
_chemical_formula_sum '[La8 Pb8 Au4]'
_cell_volume [597.2862]
_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
[
  La  La0  4  0.0006  0.0000  0.3268  1
  La  La1  4  0.1809  0.0000  0.1184  1
  Pb  Pb2  4  0.0458  0.5000  0.8904  1
  Pb  Pb3  4  0.1522  0.5000  0.5526  1
  Au  Au4  4  0.2103  0.5000  0.3217  1
]