data_[K12Tl36Cd6Au6]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4575]
_cell_length_b [7.4575]
_cell_length_c [43.3662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Tl6CdAu]
_chemical_formula_sum '[K12 Tl36 Cd6 Au6]'
_cell_volume [2088.6753]
_cell_formula_units_Z [6]
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  0.0000  0.1427  1
  K  K1  6  0.0000  0.0000  0.2950  1
  Tl  Tl2  18  0.0256  0.5128  0.8832  1
  Tl  Tl3  18  0.0416  0.5208  0.7333  1
  Cd  Cd4  3  -0.0000  -0.0000  0.5000  1
  Cd  Cd5  3  0.0000  0.0000  0.0000  1
  Au  Au6  6  0.0000  0.0000  0.3672  1
]