data_[Th4Ti4N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.5538]
_cell_length_b [7.5174]
_cell_length_c [5.0393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [ThTiNO]
_chemical_formula_sum '[Th4 Ti4 N4 O4]'
_cell_volume [248.2748]
_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
[
  Th  Th0  4  0.0482  0.1458  0.0266  1
  Ti  Ti1  4  0.1080  0.6194  0.0233  1
  N  N2  4  0.1014  0.5628  0.6288  1
  O  O3  4  0.0830  0.1634  0.5236  1
]