data_[Li4U2Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9472]
_cell_length_b [7.7293]
_cell_length_c [7.7149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2UBr8]
_chemical_formula_sum '[Li4 U2 Br16]'
_cell_volume [824.7553]
_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  4  0.0430  0.5000  0.3382  1
  U  U1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1190  0.2417  0.1540  1
  Br  Br3  4  0.0984  0.0000  0.7330  1
  Br  Br4  4  0.1292  0.5000  0.6346  1
]