data_[Nd16Ru8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.0014]
_cell_length_b [13.2098]
_cell_length_c [6.9368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nd4Ru2Pt]
_chemical_formula_sum '[Nd16 Ru8 Pt4]'
_cell_volume [693.9799]
_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  4  0.0599  0.0729  0.6682  1
  Nd  Nd1  4  0.1608  0.4683  0.1385  1
  Nd  Nd2  4  0.2897  0.1929  0.2516  1
  Nd  Nd3  4  0.4623  0.1931  0.8768  1
  Ru  Ru4  4  0.1677  0.6793  0.3466  1
  Ru  Ru5  4  0.3473  0.0040  0.6150  1
  Pt  Pt6  4  0.3857  0.3735  0.6032  1
]