data_[Nd12Pd2Ru4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [7.1042]
_cell_length_b [12.3162]
_cell_length_c [7.9896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6PdRu2Cl3]
_chemical_formula_sum '[Nd12 Pd2 Ru4 Cl6]'
_cell_volume [667.8977]
_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  0.2422  0.1739  0.2055  1.0
  Nd  Nd1  4  0.2197  0.5000  0.2052  1.0
  Ru  Ru2  4  0.0000  0.3336  0.0000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1723  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]