data_[Pa2Nb2P4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6863]
_cell_length_b [3.6863]
_cell_length_c [12.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [PaNbP2N]
_chemical_formula_sum '[Pa2 Nb2 P4 N2]'
_cell_volume [170.7140]
_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
[
  Pa  Pa0  2  0.0000  0.5000  0.3971  1
  Nb  Nb1  2  0.0000  0.5000  0.9136  1
  P  P2  2  0.0000  0.5000  0.1181  1
  P  P3  2  0.0000  0.5000  0.7123  1
  N  N4  2  0.0000  0.0000  0.5000  1
]