data_[Nd24Ge3C9Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  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 [7.8336]
_cell_length_b [7.8336]
_cell_length_c [21.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8GeC3Cl4]
_chemical_formula_sum '[Nd24 Ge3 C9 Cl12]'
_cell_volume [1134.8125]
_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  0.0252  0.5126  0.2667  1.0
  Nd  Nd1  6  0.0000  0.0000  0.2699  1.0
  Ge  Ge2  3  0.0000  0.0000  0.0000  1.0
  C  C3  9  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  3  -0.0000  -0.0000  0.5000  1.0
]