data_[La20Co4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2694]
_cell_length_b [7.2316]
_cell_length_c [11.8048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5CoAu]
_chemical_formula_sum '[La20 Co4 Au4]'
_cell_volume [836.5366]
_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  8  0.1092  0.3152  0.0468  1.0
  La  La1  8  0.2429  0.1921  0.6395  1.0
  La  La2  4  0.0000  0.0340  0.7500  1.0
  Co  Co3  4  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.0000  0.4569  0.7500  1.0
]