data_[Li2Tl2Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  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 [7.2256]
_cell_length_b [7.5684]
_cell_length_c [9.0164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlPbBr4]
_chemical_formula_sum '[Li2 Tl2 Pb2 Br8]'
_cell_volume [468.9397]
_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  0.2336  0.7500  0.3146  1.0
  Tl  Tl1  2  0.2492  0.2500  0.0596  1.0
  Pb  Pb2  2  0.2204  0.2500  0.5530  1.0
  Br  Br3  4  0.0053  0.5019  0.7257  1.0
  Br  Br4  2  0.4465  0.7500  0.1439  1.0
  Br  Br5  2  0.4541  0.7500  0.5893  1.0
]