data_[Pr8Hf4W4N20]
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
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4242]
_cell_length_b [13.5705]
_cell_length_c [10.8031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2HfWN5]
_chemical_formula_sum '[Pr8 Hf4 W4 N20]'
_cell_volume [502.0053]
_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  4  0.0000  0.1086  0.6909  1.0
  Pr  Pr1  4  0.0000  0.1508  0.2974  1.0
  Hf  Hf2  4  0.0000  0.2179  0.0146  1.0
  W  W3  4  0.0000  0.4753  0.4560  1.0
  N  N4  4  0.0000  0.0472  0.0395  1.0
  N  N5  4  0.0000  0.2815  0.6488  1.0
  N  N6  4  0.0000  0.3225  0.3867  1.0
  N  N7  4  0.0000  0.3740  0.0014  1.0
  N  N8  4  0.0000  0.4891  0.7886  1.0
]