data_[Li2U6S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9325]
_cell_length_b [4.0353]
_cell_length_c [11.4273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(US2)3]
_chemical_formula_sum '[Li2 U6 S12]'
_cell_volume [479.9275]
_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
[
  Li  Li0  2  0.0466  0.2500  0.6217  1
  U  U1  2  0.1595  0.2500  0.0707  1
  U  U2  2  0.3049  0.7500  0.4891  1
  U  U3  2  0.4785  0.2500  0.8233  1
  S  S4  2  0.0774  0.7500  0.9088  1
  S  S5  2  0.1220  0.2500  0.4373  1
  S  S6  2  0.2659  0.7500  0.2257  1
  S  S7  2  0.3053  0.7500  0.7303  1
  S  S8  2  0.3852  0.2500  0.0238  1
  S  S9  2  0.4653  0.2500  0.5860  1
]