data_[La12Ag4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2470]
_cell_length_b [4.8725]
_cell_length_c [10.1955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3AgAu]
_chemical_formula_sum '[La12 Ag4 Au4]'
_cell_volume [603.8291]
_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  0.0669  0.5000  0.8454  1.0
  La  La1  4  0.1425  0.0000  0.2007  1.0
  La  La2  4  0.1467  0.0000  0.5856  1.0
  Ag  Ag3  4  0.2321  0.0000  0.9131  1.0
  Au  Au4  4  0.0891  0.5000  0.4075  1.0
]