data_[Pr8C8N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.5478]
_cell_length_b [5.2021]
_cell_length_c [6.4677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Pr2C2N5]
_chemical_formula_sum '[Pr8 C8 N20]'
_cell_volume [523.1224]
_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
[
  Pr  Pr0  8  0.1298  0.0203  0.4126  1.0
  C  C1  4  0.0000  0.0000  0.8306  1.0
  C  C2  4  0.2500  0.0145  0.0823  1.0
  N  N3  8  0.0010  0.2363  0.8238  1.0
  N  N4  8  0.1729  0.6032  0.5637  1.0
  N  N5  4  0.2500  0.2368  0.6510  1.0
]