data_[Nd8Si12Ni20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.3956]
_cell_length_b [11.7264]
_cell_length_c [5.6583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd2Si3Ni5]
_chemical_formula_sum '[Nd8 Si12 Ni20]'
_cell_volume [623.4130]
_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  0.2437  0.1291  0.0000  1.0
  Si  Si1  8  0.1333  0.3836  0.0000  1.0
  Si  Si2  4  0.0000  0.0000  0.2500  1.0
  Ni  Ni3  8  0.0000  0.2706  0.2500  1.0
  Ni  Ni4  8  0.1177  0.1234  0.5000  1.0
  Ni  Ni5  4  0.0000  0.5000  0.2500  1.0
]