data_[Nd8Ru20C16]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.4605]
_cell_length_b [9.9401]
_cell_length_c [11.0105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2Ru5C4]
_chemical_formula_sum '[Nd8 Ru20 C16]'
_cell_volume [597.6301]
_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  0.0000  0.0000  0.1461  1.0
  Ru  Ru1  8  0.2500  0.2500  0.0000  1.0
  Ru  Ru2  8  0.2500  0.2500  0.2500  1.0
  Ru  Ru3  4  0.0000  0.0000  0.5000  1.0
  C  C4  16  0.0000  0.1641  0.3705  1.0
]