data_[Ba4U2Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4628]
_cell_length_b [4.8797]
_cell_length_c [6.6401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2UCl8]
_chemical_formula_sum '[Ba4 U2 Cl16]'
_cell_volume [645.0576]
_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  4  0.1673  0.0000  0.6614  1
  U  U1  2  0.0000  0.5000  0.0000  1
  Cl  Cl2  4  0.0191  0.0000  0.7910  1
  Cl  Cl3  4  0.0839  0.5000  0.3810  1
  Cl  Cl4  4  0.1244  0.5000  0.9289  1
  Cl  Cl5  4  0.2334  0.0000  0.2727  1
]