data_[K4Li4Tl8Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Imma]
_cell_length_a [8.7553]
_cell_length_b [8.8882]
_cell_length_c [12.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [KLi(TlCl2)2]
_chemical_formula_sum '[K4 Li4 Tl8 Cl16]'
_cell_volume [958.2832]
_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
[
  K  K0  4  0.2500  0.2500  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.2500  0.2500  0.7500  1.0
  Cl  Cl4  8  0.0000  0.0062  0.2935  1.0
  Cl  Cl5  8  0.2350  0.2500  0.4970  1.0
]