data_[Nd20Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.4117]
_cell_length_b [6.1390]
_cell_length_c [9.0164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5Sn2]
_chemical_formula_sum '[Nd20 Sn8]'
_cell_volume [902.6010]
_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  0.1087  0.1799  0.4402  1.0
  Nd  Nd1  8  0.2221  0.4014  0.8195  1.0
  Nd  Nd2  4  0.0000  0.2876  0.7500  1.0
  Sn  Sn3  8  0.0942  0.3072  0.0889  1.0
]