data_[Pr12B8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2947]
_cell_length_b [7.8199]
_cell_length_c [5.2463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3(BN2)2]
_chemical_formula_sum '[Pr12 B8 N16]'
_cell_volume [462.7148]
_cell_formula_units_Z [4]
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  0.1255  0.1362  0.0595  1
  Pr  Pr1  4  0.0000  0.4229  0.7500  1
  B  B2  8  0.2157  0.3798  0.4482  1
  N  N3  8  0.1514  0.2048  0.5189  1
  N  N4  8  0.1917  0.4516  0.1377  1
]