data_[La12Ru4Au4]
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 [P2_1/c]
_cell_length_a [8.6273]
_cell_length_b [6.9410]
_cell_length_c [10.1183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3RuAu]
_chemical_formula_sum '[La12 Ru4 Au4]'
_cell_volume [580.8898]
_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  0.0925  0.5709  0.7608  1.0
  La  La1  4  0.2181  0.2499  0.0566  1.0
  La  La2  4  0.4286  0.7421  0.1047  1.0
  Ru  Ru3  4  0.0965  0.7032  0.0191  1.0
  Au  Au4  4  0.2801  0.5350  0.3241  1.0
]