data_[U2Ti6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [12.7054]
_cell_length_b [4.0044]
_cell_length_c [6.7786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [UTi3O8]
_chemical_formula_sum '[U2 Ti6 O16]'
_cell_volume [331.0224]
_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
[
  U  U0  2  0.2966  0.0000  0.7036  1
  Ti  Ti1  2  0.0985  0.5000  0.7058  1
  Ti  Ti2  2  0.2005  0.5000  0.2718  1
  Ti  Ti3  2  0.4058  0.0000  0.2953  1
  O  O4  2  0.0591  0.5000  0.3627  1
  O  O5  2  0.1266  0.0000  0.7092  1
  O  O6  2  0.1453  0.5000  0.9974  1
  O  O7  2  0.2374  0.0000  0.3392  1
  O  O8  2  0.2472  0.5000  0.6321  1
  O  O9  2  0.3613  0.5000  0.3073  1
  O  O10  2  0.3731  0.0000  0.0189  1
  O  O11  2  0.4469  0.0000  0.6264  1
]