data_[Pr12C4N2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1394]
_cell_length_b [3.7092]
_cell_length_c [7.3979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6C2NO3]
_chemical_formula_sum '[Pr12 C4 N2 O6]'
_cell_volume [431.3671]
_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  4  0.0020  0.0000  0.2457  1.0
  Pr  Pr1  4  0.1656  0.5000  0.0861  1.0
  Pr  Pr2  4  0.1674  0.5000  0.5815  1.0
  C  C3  4  0.1640  0.0000  0.3294  1.0
  N  N4  2  0.0000  0.5000  0.0000  1.0
  O  O5  4  0.1674  0.0000  0.8344  1.0
  O  O6  2  0.0000  0.5000  0.5000  1.0
]