data_[La4Al6Au4]
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 [11.0324]
_cell_length_b [4.5367]
_cell_length_c [6.9117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Al3Au2]
_chemical_formula_sum '[La4 Al6 Au4]'
_cell_volume [314.5675]
_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  0.1520  0.0000  0.7844  1.0
  Al  Al1  4  0.0998  0.5000  0.4271  1.0
  Al  Al2  2  0.0000  0.5000  0.0000  1.0
  Au  Au3  4  0.1486  0.0000  0.2590  1.0
]