data_[Li4Tl8Sn4Br20]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4224]
_cell_length_b [19.1619]
_cell_length_c [14.3983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2SnBr5]
_chemical_formula_sum '[Li4 Tl8 Sn4 Br20]'
_cell_volume [1220.1254]
_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  0.4460  0.4345  1
  Tl  Tl1  4  0.0000  0.0926  0.6694  1
  Tl  Tl2  4  0.0000  0.1287  0.3220  1
  Sn  Sn3  4  0.0000  0.2058  0.0304  1
  Br  Br4  4  0.0000  0.0437  0.0247  1
  Br  Br5  4  0.0000  0.2824  0.6734  1
  Br  Br6  4  0.0000  0.3127  0.3888  1
  Br  Br7  4  0.0000  0.3561  0.0016  1
  Br  Br8  4  0.0000  0.4952  0.7792  1
]