data_[Li4Tl8Ag4Br20]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2894]
_cell_length_b [18.0566]
_cell_length_c [14.4294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2AgBr5]
_chemical_formula_sum '[Li4 Tl8 Ag4 Br20]'
_cell_volume [1117.5917]
_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
[
  Li  Li0  4  0.0000  0.1937  0.0323  1.0
  Tl  Tl1  4  0.0000  0.1034  0.6834  1.0
  Tl  Tl2  4  0.0000  0.1616  0.3096  1.0
  Ag  Ag3  4  0.0000  0.4778  0.4436  1.0
  Br  Br4  4  0.0000  0.0531  0.0555  1.0
  Br  Br5  4  0.0000  0.2781  0.6430  1.0
  Br  Br6  4  0.0000  0.3339  0.3875  1.0
  Br  Br7  4  0.0000  0.3780  0.9982  1.0
  Br  Br8  4  0.0000  0.4750  0.7708  1.0
]