data_[Pr4W4N12]
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 [C2/m]
_cell_length_a [13.5610]
_cell_length_b [3.5196]
_cell_length_c [6.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrWN3]
_chemical_formula_sum '[Pr4 W4 N12]'
_cell_volume [315.1335]
_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  0.1314  0.5000  0.3513  1.0
  W  W1  4  0.1193  0.0000  0.8466  1.0
  N  N2  4  0.0115  0.0000  0.2603  1.0
  N  N3  4  0.1469  0.5000  0.9767  1.0
  N  N4  4  0.1839  0.0000  0.6201  1.0
]