data_[La16Ru4Au8Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.5489]
_cell_length_b [8.8910]
_cell_length_c [12.1802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [La4RuAu2Cl]
_chemical_formula_sum '[La16 Ru4 Au8 Cl4]'
_cell_volume [925.7924]
_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  0.0000  0.0243  0.7476  1.0
  La  La1  8  0.2470  0.2500  0.5187  1.0
  Ru  Ru2  4  0.2500  0.2500  0.7500  1.0
  Au  Au3  4  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.2500  0.2500  0.2500  1.0
  Cl  Cl5  4  0.0000  0.0000  0.0000  1.0
]