data_[Nd2U2Ti4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  U  1.3800  1.7500  0.9913
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.1943]
_cell_length_b [5.1943]
_cell_length_c [11.2239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [NdUTi2O8]
_chemical_formula_sum '[Nd2 U2 Ti4 O16]'
_cell_volume [302.8264]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.2500  1
  U  U1  2  0.0000  0.0000  0.0000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Ti  Ti3  2  0.0000  0.5000  0.7500  1
  O  O4  8  0.1580  0.7563  0.8391  1
  O  O5  8  0.1792  0.2614  0.4227  1
]