data_[Pr8Nb4V4N20]
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
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3443]
_cell_length_b [14.1534]
_cell_length_c [10.4012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2NbVN5]
_chemical_formula_sum '[Pr8 Nb4 V4 N20]'
_cell_volume [492.3256]
_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  0.1143  0.6827  1.0
  Pr  Pr1  4  0.0000  0.1374  0.3154  1.0
  Nb  Nb2  4  0.0000  0.2106  0.0256  1.0
  V  V3  4  0.0000  0.4510  0.4412  1.0
  N  N4  4  0.0000  0.0396  0.0229  1.0
  N  N5  4  0.0000  0.2935  0.6569  1.0
  N  N6  4  0.0000  0.3243  0.3848  1.0
  N  N7  4  0.0000  0.3460  0.0061  1.0
  N  N8  4  0.0000  0.4961  0.7883  1.0
]