data_[Li8Pb8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.5493]
_cell_length_b [12.9683]
_cell_length_c [7.9900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiPbBr3]
_chemical_formula_sum '[Li8 Pb8 Br24]'
_cell_volume [1456.3646]
_cell_formula_units_Z [8]
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  8  0.1974  0.4257  0.6600  1.0
  Pb  Pb1  4  0.0000  0.0964  0.7500  1.0
  Pb  Pb2  4  0.0000  0.2769  0.2500  1.0
  Br  Br3  8  0.1146  0.2538  0.6707  1.0
  Br  Br4  8  0.1172  0.0885  0.1746  1.0
  Br  Br5  8  0.1514  0.4295  0.3165  1.0
]