data_[Pr2Pb1C2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1615]
_cell_length_b [5.4362]
_cell_length_c [6.4645]
_cell_angle_alpha [114.2343]
_cell_angle_beta [102.6132]
_cell_angle_gamma [99.8176]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2Pb(CN3)2]
_chemical_formula_sum '[Pr2 Pb1 C2 N6]'
_cell_volume [154.3587]
_cell_formula_units_Z [1]
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  2  0.2480  0.6086  0.8131  1
  Pb  Pb1  1  0.5000  0.0000  0.5000  1
  C  C2  2  0.0110  0.0198  0.7415  1
  N  N3  2  0.1142  0.7642  0.2046  1
  N  N4  2  0.1439  0.2534  0.3930  1
  N  N5  2  0.2988  0.1046  0.8306  1
]