data_[Nd24H3C9Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5825]
_cell_length_b [7.5825]
_cell_length_c [20.7879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8H(CCl)3]
_chemical_formula_sum '[Nd24 H3 C9 Cl9]'
_cell_volume [1035.0490]
_cell_formula_units_Z [3]
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  18  0.0214  0.5107  0.2643  1
  Nd  Nd1  6  0.0000  0.0000  0.2676  1
  H  H2  3  -0.0000  -0.0000  0.0000  1
  C  C3  9  0.0000  0.5000  0.0000  1
  Cl  Cl4  9  0.0000  0.5000  0.5000  1
]