data_[U4Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.4260]
_cell_length_b [8.4260]
_cell_length_c [18.3628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [U4Cl9]
_chemical_formula_sum '[U4 Cl9]'
_cell_volume [1129.0481]
_cell_formula_units_Z [1]
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  3  0.0000  0.5000  0.4761  1
  U  U1  1  0.0000  0.0000  0.5225  1
  Cl  Cl2  6  0.2018  0.4035  0.5649  1
  Cl  Cl3  2  0.3333  0.6667  0.3888  1
  Cl  Cl4  1  0.0000  0.0000  0.3818  1
]