data_[Ba1Li2U1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-3]
_cell_length_a [6.7647]
_cell_length_b [6.7647]
_cell_length_c [9.8404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaLi2UBr8]
_chemical_formula_sum '[Ba1 Li2 U1 Br8]'
_cell_volume [389.9816]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.3333  0.6667  0.7532  1
  U  U2  1  0.0000  0.0000  0.5000  1
  Br  Br3  6  0.0239  0.6936  0.3211  1
  Br  Br4  2  0.3333  0.6667  0.9968  1
]