data_[La12Pd2Ru4I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3653]
_cell_length_b [12.7547]
_cell_length_c [8.6544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6PdRu2I3]
_chemical_formula_sum '[La12 Pd2 Ru4 I6]'
_cell_volume [779.7180]
_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  8  0.2362  0.1742  0.1862  1.0
  La  La1  4  0.2134  0.5000  0.1854  1.0
  Ru  Ru2  4  0.0000  0.3333  0.0000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1660  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]