data_[Pr8Zr4W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
  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 [3.4462]
_cell_length_b [13.6460]
_cell_length_c [10.7943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2ZrWN5]
_chemical_formula_sum '[Pr8 Zr4 W4 N20]'
_cell_volume [507.6157]
_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  0.1084  0.6912  1.0
  Pr  Pr1  4  0.0000  0.1506  0.2982  1.0
  Zr  Zr2  4  0.0000  0.2183  0.0148  1.0
  W  W3  4  0.0000  0.4750  0.4555  1.0
  N  N4  4  0.0000  0.0454  0.0384  1.0
  N  N5  4  0.0000  0.2816  0.6517  1.0
  N  N6  4  0.0000  0.3247  0.3840  1.0
  N  N7  4  0.0000  0.3754  0.0019  1.0
  N  N8  4  0.0000  0.4885  0.7883  1.0
]