data_[Cs12Li6Sb6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9337]
_cell_length_b [7.9337]
_cell_length_c [39.8764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2LiSbBr6]
_chemical_formula_sum '[Cs12 Li6 Sb6 Br36]'
_cell_volume [2173.6676]
_cell_formula_units_Z [6]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.1236  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2942  1.0
  Li  Li2  6  0.0000  0.0000  0.4154  1.0
  Sb  Sb3  3  -0.0000  -0.0000  0.5000  1.0
  Sb  Sb4  3  0.0000  0.0000  0.0000  1.0
  Br  Br5  18  0.0001  0.5001  0.7077  1.0
  Br  Br6  18  0.0090  0.5045  0.1234  1.0
]