data_[La24Ru8Au8]
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 [C2/c]
_cell_length_a [14.6853]
_cell_length_b [10.7839]
_cell_length_c [7.6531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3RuAu]
_chemical_formula_sum '[La24 Ru8 Au8]'
_cell_volume [1205.4207]
_cell_formula_units_Z [8]
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  0.1033  0.1035  0.6117  1.0
  La  La1  8  0.1208  0.4516  0.4220  1.0
  La  La2  8  0.2009  0.1884  0.1744  1.0
  Ru  Ru3  8  0.2389  0.0555  0.8701  1.0
  Au  Au4  4  0.0000  0.1662  0.2500  1.0
  Au  Au5  4  0.0000  0.3393  0.7500  1.0
]