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 [C2/m]
_cell_length_a [14.9871]
_cell_length_b [4.3069]
_cell_length_c [11.8602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3RuAu]
_chemical_formula_sum '[La12 Ru4 Au4]'
_cell_volume [627.9301]
_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  0.0370  0.0000  0.1931  1.0
  La  La1  4  0.1567  0.5000  0.5425  1.0
  La  La2  4  0.2255  0.5000  0.1214  1.0
  Ru  Ru3  4  0.1843  0.5000  0.3080  1.0
  Au  Au4  4  0.0892  0.5000  0.7572  1.0
]