data_[Pr10Ta2N16]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.5388]
_cell_length_b [7.5388]
_cell_length_c [7.2005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pr5TaN8]
_chemical_formula_sum '[Pr10 Ta2 N16]'
_cell_volume [409.2271]
_cell_formula_units_Z [2]
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  8  0.1317  0.2299  0.8725  1
  Pr  Pr1  2  0.0000  0.0000  0.5000  1
  Ta  Ta2  2  0.0000  0.5000  0.2500  1
  N  N3  8  0.0419  0.4108  0.5307  1
  N  N4  8  0.0839  0.1949  0.2231  1
]