data_[U3Pa3Nb6N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6548]
_cell_length_b [5.6548]
_cell_length_c [14.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [UPa(NbN3)2]
_chemical_formula_sum '[U3 Pa3 Nb6 N18]'
_cell_volume [394.7174]
_cell_formula_units_Z [3]
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
[
  U  U0  3  0.0000  0.0000  0.6925  1
  Pa  Pa1  3  0.0000  0.0000  0.1988  1
  Nb  Nb2  3  0.0000  0.0000  0.4750  1
  Nb  Nb3  3  0.0000  0.0000  0.9796  1
  N  N4  9  0.0218  0.3843  0.7483  1
  N  N5  9  0.0246  0.6280  0.2492  1
]