data_[La20Ru8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9124]
_cell_length_b [7.9124]
_cell_length_c [14.1426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [La5Ru2Au]
_chemical_formula_sum '[La20 Ru8 Au4]'
_cell_volume [885.4052]
_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  16  0.1657  0.3343  0.3667  1
  La  La1  4  0.0000  0.0000  0.0000  1
  Ru  Ru2  8  0.1399  0.3601  0.0000  1
  Au  Au3  4  0.0000  0.0000  0.2500  1
]