data_[Ba8U4O20]
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 [C2/c]
_cell_length_a [12.3978]
_cell_length_b [6.0558]
_cell_length_c [8.5227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2UO5]
_chemical_formula_sum '[Ba8 U4 O20]'
_cell_volume [601.9999]
_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
[
  Ba  Ba0  8  0.1683  0.4670  0.8323  1
  U  U1  4  0.0000  0.0000  0.0000  1
  O  O2  8  0.1274  0.2224  0.5339  1
  O  O3  8  0.1296  0.2336  0.0923  1
  O  O4  4  0.0000  0.1089  0.7500  1
]