data_[Ba2U8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  U  1.3800  1.7500  0.9913
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8275]
_cell_length_b [3.8275]
_cell_length_c [28.6435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [BaU4O10]
_chemical_formula_sum '[Ba2 U8 O20]'
_cell_volume [419.6229]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  U  U1  4  0.0000  0.0000  0.2019  1
  U  U2  4  0.0000  0.0000  0.3957  1
  O  O3  8  0.0000  0.5000  0.0661  1
  O  O4  8  0.0000  0.5000  0.1573  1
  O  O5  4  0.0000  0.5000  0.2500  1
]