data_[Pr8Ti4W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ti  1.5400  1.4000  0.8517
  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 [3.3982]
_cell_length_b [13.6283]
_cell_length_c [10.5712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2TiWN5]
_chemical_formula_sum '[Pr8 Ti4 W4 N20]'
_cell_volume [489.5640]
_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  0.1111  0.6792  1
  Pr  Pr1  4  0.0000  0.1479  0.3021  1
  Ti  Ti2  4  0.0000  0.2222  0.0224  1
  W  W3  4  0.0000  0.4569  0.4514  1
  N  N4  4  0.0000  0.0495  0.0404  1
  N  N5  4  0.0000  0.2838  0.6476  1
  N  N6  4  0.0000  0.3216  0.3888  1
  N  N7  4  0.0000  0.3615  0.0037  1
  N  N8  4  0.0000  0.4918  0.7884  1
]