data_[Nd40Co8Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [11.0592]
_cell_length_b [11.1434]
_cell_length_c [13.5996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd5CoSi2]
_chemical_formula_sum '[Nd40 Co8 Si16]'
_cell_volume [1675.9745]
_cell_formula_units_Z [8]
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  16  0.0000  0.1814  0.1427  1.0
  Nd  Nd1  16  0.1634  0.0000  0.3589  1.0
  Nd  Nd2  8  0.2500  0.2500  0.0000  1.0
  Co  Co3  8  0.0000  0.1175  0.5000  1.0
  Si  Si4  8  0.1159  0.0000  0.0000  1.0
  Si  Si5  8  0.2500  0.2500  0.2500  1.0
]