data_[Li2Ce2Ga4Br12]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4643]
_cell_length_b [7.8345]
_cell_length_c [12.9422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCe(GaBr3)2]
_chemical_formula_sum '[Li2 Ce2 Ga4 Br12]'
_cell_volume [633.0038]
_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
  Ga  Ga2  4  0.3065  0.0954  0.2850  1.0
  Br  Br3  4  0.1284  0.0342  0.7566  1.0
  Br  Br4  4  0.2644  0.6919  0.5700  1.0
  Br  Br5  4  0.3747  0.1933  0.5488  1.0
]