data_[Cs4Tl4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4952]
_cell_length_b [19.4534]
_cell_length_c [8.2117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CsTlCl4]
_chemical_formula_sum '[Cs4 Tl4 Cl16]'
_cell_volume [877.8344]
_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  0.1364  0.1791  1.0
  Tl  Tl1  4  0.0000  0.3986  0.1904  1.0
  Cl  Cl2  4  0.0000  0.0863  0.7354  1.0
  Cl  Cl3  4  0.0000  0.3147  0.4168  1.0
  Cl  Cl4  4  0.0000  0.3225  0.9445  1.0
  Cl  Cl5  4  0.0000  0.4806  0.6004  1.0
]