data_[K12Tl12Cd4]
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 [C2/m]
_cell_length_a [12.7087]
_cell_length_b [5.3497]
_cell_length_c [17.6053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tl3Cd]
_chemical_formula_sum '[K12 Tl12 Cd4]'
_cell_volume [1124.1662]
_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  0.0289  0.5000  0.3829  1
  K  K1  4  0.1106  0.5000  0.9228  1
  K  K2  4  0.2381  0.0000  0.7666  1
  Tl  Tl3  4  0.0599  0.0000  0.2397  1
  Tl  Tl4  4  0.0964  0.0000  0.0791  1
  Tl  Tl5  4  0.1388  0.0000  0.5396  1
  Cd  Cd6  4  0.2441  0.0000  0.4026  1
]