data_[La2Ti1Al4Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3612]
_cell_length_b [4.3612]
_cell_length_c [11.1539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [La2TiAl4Au3]
_chemical_formula_sum '[La2 Ti1 Al4 Au3]'
_cell_volume [212.1432]
_cell_formula_units_Z [1]
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  0.7502  1
  Ti  Ti1  1  0.5000  0.5000  0.5000  1
  Al  Al2  2  0.0000  0.5000  0.3596  1
  Al  Al3  1  0.0000  0.0000  0.0000  1
  Al  Al4  1  0.5000  0.5000  0.0000  1
  Au  Au5  2  0.0000  0.5000  0.1285  1
  Au  Au6  1  0.0000  0.0000  0.5000  1
]