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 [Amm2]
_cell_length_a [3.9331]
_cell_length_b [7.8524]
_cell_length_c [8.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrWN3]
_chemical_formula_sum '[Pr4 W4 N12]'
_cell_volume [268.6024]
_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  2  0.5000  0.0000  0.1075  1.0
  Pr  Pr1  2  0.5000  0.0000  0.6314  1.0
  W  W2  4  0.0000  0.2415  0.3521  1.0
  N  N3  4  0.0000  0.2084  0.5585  1.0
  N  N4  4  0.5000  0.2452  0.3031  1.0
  N  N5  2  0.0000  0.0000  0.2716  1.0
  N  N6  2  0.0000  0.0000  0.8455  1.0
]