data_[Nd20In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2530]
_cell_length_b [5.9308]
_cell_length_c [9.2470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5In2]
_chemical_formula_sum '[Nd20 In8]'
_cell_volume [882.7202]
_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  0.1271  0.2085  0.9537  1
  Nd  Nd1  8  0.2248  0.3466  0.3206  1
  Nd  Nd2  4  0.0000  0.2187  0.2500  1
  In  In3  8  0.0798  0.3048  0.5990  1
]