data_[K4Tl8In4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9479]
_cell_length_b [18.3878]
_cell_length_c [12.8798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KTl2InCl5]
_chemical_formula_sum '[K4 Tl8 In4 Cl20]'
_cell_volume [1171.8083]
_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  0.0000  0.2109  0.0168  1.0
  Tl  Tl1  4  0.0000  0.1175  0.6959  1.0
  Tl  Tl2  4  0.0000  0.1522  0.3137  1.0
  In  In3  4  0.0000  0.4757  0.4556  1.0
  Cl  Cl4  4  0.0000  0.0385  0.0134  1.0
  Cl  Cl5  4  0.0000  0.2832  0.6791  1.0
  Cl  Cl6  4  0.0000  0.3277  0.3704  1.0
  Cl  Cl7  4  0.0000  0.3773  0.0115  1.0
  Cl  Cl8  4  0.0000  0.4835  0.7675  1.0
]