data_[Nd18Ge3Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1301]
_cell_length_b [7.1301]
_cell_length_c [30.3904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd6GeCl8]
_chemical_formula_sum '[Nd18 Ge3 Cl24]'
_cell_volume [1338.0019]
_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  0.0000  0.6774  0.0538  1
  Ge  Ge1  3  0.0000  0.0000  0.0000  1
  Cl  Cl2  18  0.0000  0.3314  0.1086  1
  Cl  Cl3  6  0.0000  0.0000  0.3333  1
]