data_[Li4Ce4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [8.4398]
_cell_length_b [17.3301]
_cell_length_c [7.0840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCeBr4]
_chemical_formula_sum '[Li4 Ce4 Br16]'
_cell_volume [836.7836]
_cell_formula_units_Z [4]
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  0.0000  0.1587  0.2500  1
  Ce  Ce1  4  0.0000  0.3340  0.7500  1
  Br  Br2  8  0.2428  0.2041  0.7437  1
  Br  Br3  8  0.2430  0.0680  0.2641  1
]