data_[La8Al4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3490]
_cell_length_b [4.5184]
_cell_length_c [11.3775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2AlAu2]
_chemical_formula_sum '[La8 Al4 Au8]'
_cell_volume [511.5308]
_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  0.0011  0.0000  0.3371  1.0
  La  La1  4  0.1885  0.0000  0.1084  1.0
  Al  Al2  4  0.2191  0.5000  0.3599  1.0
  Au  Au3  4  0.0180  0.5000  0.8779  1.0
  Au  Au4  4  0.1515  0.5000  0.5683  1.0
]