data_[Pr12C2Se6N4]
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
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7544]
_cell_length_b [11.7012]
_cell_length_c [7.2327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6CSe3N2]
_chemical_formula_sum '[Pr12 C2 Se6 N4]'
_cell_volume [543.3073]
_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  0.2357  0.1673  0.2055  1
  Pr  Pr1  4  0.2333  0.5000  0.2045  1
  Se  Se2  4  0.0000  0.1655  0.5000  1
  C  C3  2  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
  N  N5  4  0.0000  0.3333  0.0000  1
]