data_[Nd8Ni26C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.8974]
_cell_length_b [12.0935]
_cell_length_c [3.9383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd4Ni13C4]
_chemical_formula_sum '[Nd8 Ni26 C8]'
_cell_volume [566.6513]
_cell_formula_units_Z [2]
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  0.0000  0.3093  0.0000  1
  Nd  Nd1  4  0.1538  0.0000  0.0000  1
  Ni  Ni2  8  0.1089  0.1754  0.5000  1
  Ni  Ni3  8  0.1809  0.3905  0.5000  1
  Ni  Ni4  4  0.1208  0.5000  0.0000  1
  Ni  Ni5  4  0.2500  0.2500  0.0000  1
  Ni  Ni6  2  0.0000  0.5000  0.5000  1
  C  C7  4  0.0000  0.0564  0.5000  1
  C  C8  4  0.2500  0.2500  0.5000  1
]