data_[Nd4Ru4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1651]
_cell_length_b [4.2792]
_cell_length_c [11.1316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdRuCl]
_chemical_formula_sum '[Nd4 Ru4 Cl4]'
_cell_volume [333.0646]
_cell_formula_units_Z [4]
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  4  0.0641  0.0000  0.1916  1.0
  Ru  Ru1  4  0.1766  0.5000  0.9904  1.0
  Cl  Cl2  4  0.2271  0.0000  0.6540  1.0
]