data_[Cs1Li1Tl1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5071]
_cell_length_b [6.9111]
_cell_length_c [8.8085]
_cell_angle_alpha [87.8960]
_cell_angle_beta [89.8594]
_cell_angle_gamma [67.7681]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLiTlCl6]
_chemical_formula_sum '[Cs1 Li1 Tl1 Cl6]'
_cell_volume [310.0975]
_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
[
  Cs  Cs0  1  0.0304  0.0626  0.1199  1.0
  Li  Li1  1  0.6978  0.6151  0.4282  1.0
  Tl  Tl2  1  0.4259  0.2485  0.6136  1.0
  Cl  Cl3  1  0.0023  0.5603  0.2037  1.0
  Cl  Cl4  1  0.2935  0.6285  0.6043  1.0
  Cl  Cl5  1  0.5047  0.5527  0.1996  1.0
  Cl  Cl6  1  0.5427  0.0424  0.8541  1.0
  Cl  Cl7  1  0.5711  0.0031  0.4008  1.0
  Cl  Cl8  1  0.9315  0.2867  0.5757  1.0
]