data_[Cs8Li4Tl4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0612]
_cell_length_b [20.7868]
_cell_length_c [14.1181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiTlBr5]
_chemical_formula_sum '[Cs8 Li4 Tl4 Br20]'
_cell_volume [1485.3102]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0000  0.1100  0.6790  1.0
  Cs  Cs1  4  0.0000  0.1295  0.3199  1.0
  Li  Li2  4  0.0000  0.2388  0.0702  1.0
  Tl  Tl3  4  0.0000  0.4118  0.4590  1.0
  Br  Br4  4  0.0000  0.0579  0.0385  1.0
  Br  Br5  4  0.0000  0.2952  0.6233  1.0
  Br  Br6  4  0.0000  0.3076  0.3321  1.0
  Br  Br7  4  0.0000  0.3472  0.0052  1.0
  Br  Br8  4  0.0000  0.4986  0.2967  1.0
]