data_[Li3U6Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [10.0513]
_cell_length_b [10.0513]
_cell_length_c [6.0134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Li3(U3Se7)2]
_chemical_formula_sum '[Li3 U6 Se14]'
_cell_volume [526.1338]
_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  1  0.0000  0.0000  0.8440  1
  Li  Li1  1  0.3333  0.6667  0.3445  1
  Li  Li2  1  0.6667  0.3333  0.4727  1
  U  U3  3  0.0409  0.4805  0.7456  1
  U  U4  3  0.2925  0.1865  0.2460  1
  Se  Se5  3  0.1024  0.2589  0.0002  1
  Se  Se6  3  0.1771  0.7691  0.5006  1
  Se  Se7  3  0.4131  0.2281  0.7158  1
  Se  Se8  3  0.5178  0.0808  0.2201  1
  Se  Se9  1  0.0000  0.0000  0.4481  1
  Se  Se10  1  0.3333  0.6667  0.9489  1
]