data_[Li2Ce2In4Br12]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6277]
_cell_length_b [8.0075]
_cell_length_c [13.2487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCe(InBr3)2]
_chemical_formula_sum '[Li2 Ce2 In4 Br12]'
_cell_volume [668.4837]
_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  0.5000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.2831  0.0795  0.2588  1.0
  Br  Br3  4  0.1558  0.0211  0.7578  1.0
  Br  Br4  4  0.2509  0.6969  0.5515  1.0
  Br  Br5  4  0.3588  0.2010  0.5471  1.0
]