data_[Pr8Nb4Sn4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3693]
_cell_length_b [14.1544]
_cell_length_c [10.7308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2NbSnN5]
_chemical_formula_sum '[Pr8 Nb4 Sn4 N20]'
_cell_volume [511.7506]
_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  0.1132  0.7020  1.0
  Pr  Pr1  4  0.0000  0.1358  0.2834  1.0
  Nb  Nb2  4  0.0000  0.2265  0.0063  1.0
  Sn  Sn3  4  0.0000  0.4762  0.4693  1.0
  N  N4  4  0.0000  0.0593  0.0643  1.0
  N  N5  4  0.0000  0.2805  0.6382  1.0
  N  N6  4  0.0000  0.3049  0.3793  1.0
  N  N7  4  0.0000  0.3637  1.0000  1.0
  N  N8  4  0.0000  0.4965  0.7812  1.0
]