data_[Nd20Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.8885]
_cell_length_b [6.3979]
_cell_length_c [6.9255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5Ni2]
_chemical_formula_sum '[Nd20 Ni8]'
_cell_volume [744.0657]
_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  0.0964  0.1029  0.9225  1.0
  Nd  Nd1  8  0.2140  0.4295  0.3155  1.0
  Nd  Nd2  4  0.0000  0.4324  0.2500  1.0
  Ni  Ni3  8  0.1080  0.3049  0.5717  1.0
]