data_[Li2Pb2Br8]
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 [P2_1/m]
_cell_length_a [14.6277]
_cell_length_b [4.4501]
_cell_length_c [19.6867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPbBr4]
_chemical_formula_sum '[Li2 Pb2 Br8]'
_cell_volume [1281.5076]
_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  0.3308  0.2500  0.0651  1
  Pb  Pb1  2  0.1314  0.7500  0.0192  1
  Br  Br2  2  0.0238  0.2500  0.0915  1
  Br  Br3  2  0.2392  0.2500  0.9524  1
  Br  Br4  2  0.2825  0.7500  0.1190  1
  Br  Br5  2  0.4934  0.7500  0.9527  1
]