data_[Li2In2Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  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 [7.2648]
_cell_length_b [7.5963]
_cell_length_c [8.9039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiInPbBr4]
_chemical_formula_sum '[Li2 In2 Pb2 Br8]'
_cell_volume [467.9651]
_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  0.2374  0.7500  0.3133  1.0
  In  In1  2  0.2500  0.2500  0.0606  1.0
  Pb  Pb2  2  0.2172  0.2500  0.5531  1.0
  Br  Br3  4  0.0011  0.5010  0.7271  1.0
  Br  Br4  2  0.4513  0.7500  0.1401  1.0
  Br  Br5  2  0.4575  0.7500  0.5929  1.0
]