data_[Pr12W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.8958]
_cell_length_b [6.8958]
_cell_length_c [11.7378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pr3WN5]
_chemical_formula_sum '[Pr12 W4 N20]'
_cell_volume [558.1559]
_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  0.1782  0.6782  0.0000  1.0
  Pr  Pr1  4  0.0000  0.0000  0.2500  1.0
  W  W2  4  0.0000  0.5000  0.2500  1.0
  N  N3  16  0.1519  0.3481  0.8476  1.0
  N  N4  4  0.0000  0.0000  0.0000  1.0
]