data_[Li2Bi1Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6808]
_cell_length_b [8.5578]
_cell_length_c [6.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2BiPbBr8]
_chemical_formula_sum '[Li2 Bi1 Pb1 Br8]'
_cell_volume [390.4099]
_cell_formula_units_Z [1]
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  0.5000  0.2409  0.5000  1
  Bi  Bi1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.2180  0.2445  0.8216  1
  Br  Br4  2  0.2936  0.0000  0.3370  1
  Br  Br5  2  0.3143  0.5000  0.3328  1
]