data_[K2Tl6I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.0439]
_cell_length_b [14.2132]
_cell_length_c [5.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [KTl3I4]
_chemical_formula_sum '[K2 Tl6 I8]'
_cell_volume [718.2564]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2500  0.2500  0.0000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  I  I3  4  0.0000  0.2497  0.5000  1
  I  I4  4  0.2499  0.0000  0.0000  1
]