data_[Nd24C9N3Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5619]
_cell_length_b [7.5619]
_cell_length_c [20.8262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8C3NCl3]
_chemical_formula_sum '[Nd24 C9 N3 Cl9]'
_cell_volume [1031.3539]
_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  0.0009  0.5005  0.2677  1.0
  Nd  Nd1  6  0.0000  0.0000  0.2675  1.0
  C  C2  9  0.0000  0.5000  0.0000  1.0
  N  N3  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  9  0.0000  0.5000  0.5000  1.0
]