data_[La12Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2254]
_cell_length_b [4.4081]
_cell_length_c [15.7731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3GaAu3]
_chemical_formula_sum '[La12 Ga4 Au12]'
_cell_volume [736.8715]
_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  0.0342  0.5000  0.3917  1
  La  La1  4  0.0979  0.5000  0.9194  1
  La  La2  4  0.2468  0.5000  0.2350  1
  Ga  Ga3  4  0.2403  0.0000  0.3932  1
  Au  Au4  4  0.0285  0.0000  0.2352  1
  Au  Au5  4  0.1235  0.0000  0.0775  1
  Au  Au6  4  0.1378  0.0000  0.5455  1
]