data_[Pr3Hf9P12N36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.6134]
_cell_length_b [10.6134]
_cell_length_c [8.2136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [PrHf3(PN3)4]
_chemical_formula_sum '[Pr3 Hf9 P12 N36]'
_cell_volume [801.2644]
_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  3  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  9  0.0000  0.5529  0.0000  1.0
  P  P2  9  0.0000  0.4460  0.5000  1.0
  P  P3  3  0.0000  0.0000  0.5000  1.0
  N  N4  18  0.0316  0.2141  0.1847  1.0
  N  N5  9  0.0000  0.5943  0.5000  1.0
  N  N6  9  0.0000  0.8518  0.5000  1.0
]