data_[Li2U1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  U  1.3800  1.7500  0.9913
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.6239]
_cell_length_b [6.6239]
_cell_length_c [17.8430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Li2UCl6]
_chemical_formula_sum '[Li2 U1 Cl6]'
_cell_volume [677.9934]
_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
[
  Li  Li0  2  0.3333  0.6667  0.5000  1
  U  U1  1  0.0000  0.0000  0.5000  1
  Cl  Cl2  6  0.0000  0.3347  0.4203  1
]