data_[K9Ba3Tl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.7175]
_cell_length_b [6.7175]
_cell_length_c [33.4808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K3BaTl8]
_chemical_formula_sum '[K9 Ba3 Tl24]'
_cell_volume [1308.3947]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0026  1.0
  K  K1  3  0.0000  0.0000  0.3730  1.0
  K  K2  3  0.0000  0.0000  0.4976  1.0
  Ba  Ba3  3  0.0000  0.0000  0.8763  1.0
  Tl  Tl4  9  0.0008  0.5004  0.4384  1.0
  Tl  Tl5  9  0.1668  0.8332  0.2701  1.0
  Tl  Tl6  3  0.0000  0.0000  0.1872  1.0
  Tl  Tl7  3  0.0000  0.0000  0.6877  1.0
]