data_[La8Cu8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6974]
_cell_length_b [4.4255]
_cell_length_c [11.1388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Cu2Au]
_chemical_formula_sum '[La8 Cu8 Au4]'
_cell_volume [469.9482]
_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  0.0416  0.0000  0.3552  1.0
  La  La1  4  0.1951  0.0000  0.1098  1.0
  Cu  Cu2  4  0.0177  0.5000  0.8946  1.0
  Cu  Cu3  4  0.1268  0.5000  0.5712  1.0
  Au  Au4  4  0.2323  0.5000  0.3263  1.0
]