data_[Na9U9Ti3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  U  1.3800  1.7500  0.9913
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.7727]
_cell_length_b [6.7727]
_cell_length_c [17.0661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3U3TiN8]
_chemical_formula_sum '[Na9 U9 Ti3 N24]'
_cell_volume [677.9414]
_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
[
  Na  Na0  9  0.0000  0.5000  0.5000  1
  U  U1  9  0.0000  0.5000  0.0000  1
  Ti  Ti2  3  -0.0000  -0.0000  0.0000  1
  N  N3  18  0.0057  0.5029  0.7239  1
  N  N4  6  0.0000  0.0000  0.2700  1
]