data_[Ba1Li2Ce1Br8]
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
  Ce  1.1200  1.8500  1.0800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.7940]
_cell_length_b [6.7940]
_cell_length_c [9.7856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaLi2CeBr8]
_chemical_formula_sum '[Ba1 Li2 Ce1 Br8]'
_cell_volume [391.1707]
_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  1.0
  Li  Li1  2  0.3333  0.6667  0.2479  1.0
  Ce  Ce2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  6  0.0240  0.3301  0.6816  1.0
  Br  Br4  2  0.3333  0.6667  0.0028  1.0
]