data_[Nd8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.9618]
_cell_length_b [6.2851]
_cell_length_c [7.7462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2Cl5]
_chemical_formula_sum '[Nd8 Cl20]'
_cell_volume [720.9941]
_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  8  0.1030  0.2888  0.5864  1.0
  Cl  Cl1  8  0.0842  0.1271  0.9238  1.0
  Cl  Cl2  8  0.2191  0.4278  0.3361  1.0
  Cl  Cl3  4  0.0000  0.4059  0.2500  1.0
]