data_[Pr12H6C4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4514]
_cell_length_b [11.1797]
_cell_length_c [6.5471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6H3C2N]
_chemical_formula_sum '[Pr12 H6 C4 N2]'
_cell_volume [445.8266]
_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
[
  Pr  Pr0  8  0.2416  0.8348  0.2285  1.0
  Pr  Pr1  4  0.2460  0.5000  0.2279  1.0
  H  H2  4  0.0000  0.1721  0.5000  1.0
  H  H3  2  0.0000  0.5000  0.5000  1.0
  C  C4  4  0.0000  0.3336  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]