data_[Pr24C9Br9N3]
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
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6242]
_cell_length_b [7.6242]
_cell_length_c [22.3217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8C3Br3N]
_chemical_formula_sum '[Pr24 C9 Br9 N3]'
_cell_volume [1123.7019]
_cell_formula_units_Z [3]
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  18  0.0008  0.5004  0.7284  1
  Pr  Pr1  6  0.0000  0.0000  0.2713  1
  C  C2  9  0.0000  0.5000  0.0000  1
  Br  Br3  9  0.0000  0.5000  0.5000  1
  N  N4  3  -0.0000  -0.0000  0.0000  1
]