data_[Pr8Ta4W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  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 [3.3722]
_cell_length_b [13.4309]
_cell_length_c [10.8090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2TaWN5]
_chemical_formula_sum '[Pr8 Ta4 W4 N20]'
_cell_volume [489.5661]
_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  0.3505  0.7967  1.0
  Pr  Pr1  4  0.0000  0.3941  0.1882  1.0
  Ta  Ta2  4  0.0000  0.2798  0.5155  1.0
  W  W3  4  0.0000  0.0271  0.9590  1.0
  N  N4  4  0.0000  0.0113  0.2888  1.0
  N  N5  4  0.0000  0.1314  0.4994  1.0
  N  N6  4  0.0000  0.1783  0.8885  1.0
  N  N7  4  0.0000  0.2191  0.1416  1.0
  N  N8  4  0.0000  0.4513  0.5462  1.0
]