data_[Nd12Cd2Ru4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  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 [7.3998]
_cell_length_b [12.7595]
_cell_length_c [8.5730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6CdRu2I3]
_chemical_formula_sum '[Nd12 Cd2 Ru4 I6]'
_cell_volume [775.6485]
_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
[
  Nd  Nd0  8  0.2492  0.3154  0.8074  1.0
  Nd  Nd1  4  0.1932  0.5000  0.1895  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.0000  0.3324  0.0000  1.0
  I  I4  4  0.0000  0.1628  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]