data_[Cs12Li6Pt6Br36]
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
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6828]
_cell_length_b [7.6828]
_cell_length_c [38.8716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2LiPtBr6]
_chemical_formula_sum '[Cs12 Li6 Pt6 Br36]'
_cell_volume [1987.0225]
_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  0.1227  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2950  1.0
  Li  Li2  6  0.0000  0.0000  0.4207  1.0
  Pt  Pt3  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt4  3  0.0000  0.0000  0.0000  1.0
  Br  Br5  18  0.0143  0.5072  0.7050  1.0
  Br  Br6  18  0.0161  0.5081  0.1274  1.0
]