data_[K2Tl2Ga2I6]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.2273]
_cell_length_b [4.9471]
_cell_length_c [12.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlGaI3]
_chemical_formula_sum '[K2 Tl2 Ga2 I6]'
_cell_volume [602.8686]
_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  0.1579  0.7500  0.1809  1.0
  Tl  Tl1  2  0.3510  0.2500  0.8663  1.0
  Ga  Ga2  2  0.1451  0.7500  0.6092  1.0
  I  I3  2  0.1032  0.7500  0.8765  1.0
  I  I4  2  0.1529  0.2500  0.4355  1.0
  I  I5  2  0.4040  0.2500  0.1444  1.0
]