data_[Nd20Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6840]
_cell_length_b [6.4197]
_cell_length_c [8.5880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5Sb2]
_chemical_formula_sum '[Nd20 Sb8]'
_cell_volume [914.4074]
_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  0.0913  0.1409  0.4270  1.0
  Nd  Nd1  8  0.2309  0.4291  0.8258  1.0
  Nd  Nd2  4  0.0000  0.3477  0.7500  1.0
  Sb  Sb3  8  0.1035  0.3282  0.0798  1.0
]