data_[La12Pd2Ru4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5002]
_cell_length_b [4.1556]
_cell_length_c [9.0925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6PdRu2Cl3]
_chemical_formula_sum '[La12 Pd2 Ru4 Cl6]'
_cell_volume [691.9917]
_cell_formula_units_Z [2]
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  0.0162  0.0000  0.2391  1
  La  La1  4  0.1617  0.5000  0.1155  1
  La  La2  4  0.1780  0.5000  0.5601  1
  Ru  Ru3  4  0.1631  0.0000  0.3307  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  Cl  Cl5  4  0.1695  0.0000  0.8352  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]