data_[Nd12Ru4C2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9492]
_cell_length_b [12.0488]
_cell_length_c [7.7521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Ru2CCl3]
_chemical_formula_sum '[Nd12 Ru4 C2 Cl6]'
_cell_volume [620.2958]
_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  0.2191  0.1561  0.1962  1.0
  Nd  Nd1  4  0.2471  0.5000  0.1949  1.0
  Ru  Ru2  4  0.0000  0.3316  0.0000  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1597  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]