data_[Ba2U4Cu2O16]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0603]
_cell_length_b [6.8818]
_cell_length_c [7.0353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaU2CuO8]
_chemical_formula_sum '[Ba2 U4 Cu2 O16]'
_cell_volume [390.1662]
_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  0.5000  1
  U  U1  4  0.0009  0.5000  0.7609  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0024  0.2106  0.1990  1
  O  O4  4  0.1553  0.5000  0.4926  1
  O  O5  4  0.1582  0.5000  0.9963  1
]