data_[K14Tl21Cd9]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.1425]
_cell_length_b [10.1425]
_cell_length_c [17.4009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [K14(Tl7Cd3)3]
_chemical_formula_sum '[K14 Tl21 Cd9]'
_cell_volume [1550.2152]
_cell_formula_units_Z [1]
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  6  0.0000  0.3868  0.3156  1
  K  K1  6  0.0000  0.7501  0.1770  1
  K  K2  2  0.3333  0.6667  0.5000  1
  Tl  Tl3  6  0.0000  0.3996  0.1098  1
  Tl  Tl4  6  0.0000  0.7037  0.4051  1
  Tl  Tl5  4  0.3333  0.6667  0.1668  1
  Tl  Tl6  3  0.0000  0.2214  0.5000  1
  Tl  Tl7  2  0.0000  0.0000  0.3465  1
  Cd  Cd8  6  0.1733  0.7008  0.0000  1
  Cd  Cd9  3  0.0000  0.1645  0.0000  1
]