data_[Pr3Nd3C9N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7841]
_cell_length_b [6.7841]
_cell_length_c [15.3567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrNd(CN2)3]
_chemical_formula_sum '[Pr3 Nd3 C9 N18]'
_cell_volume [612.0904]
_cell_formula_units_Z [3]
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
[
  Pr  Pr0  3  0.0000  0.0000  0.5886  1.0
  Nd  Nd1  3  0.0000  0.0000  0.9433  1.0
  C  C2  9  0.0041  0.2795  0.7664  1.0
  N  N3  9  0.0115  0.4373  0.3603  1.0
  N  N4  9  0.1004  0.3493  0.5059  1.0
]