data_[Pr2Pa2Fe2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6918]
_cell_length_b [5.1648]
_cell_length_c [6.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrPaFeN4]
_chemical_formula_sum '[Pr2 Pa2 Fe2 N8]'
_cell_volume [193.2532]
_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  2  0.2876  0.2500  0.0679  1
  Pa  Pa1  2  0.2385  0.2500  0.5546  1
  Fe  Fe2  2  0.2289  0.7500  0.3031  1
  N  N3  4  0.0000  0.5058  0.2716  1
  N  N4  2  0.4168  0.7500  0.5631  1
  N  N5  2  0.4401  0.7500  0.1508  1
]