data_[K3Tl2Cd4Au2]
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 [P-3m1]
_cell_length_a [4.9311]
_cell_length_b [4.9311]
_cell_length_c [17.4110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Tl2(Cd2Au)2]
_chemical_formula_sum '[K3 Tl2 Cd4 Au2]'
_cell_volume [366.6467]
_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  2  0.0000  0.0000  0.2522  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.3333  0.6667  0.5621  1
  Cd  Cd3  2  0.3333  0.6667  0.3801  1
  Cd  Cd4  2  0.3333  0.6667  0.8776  1
  Au  Au5  2  0.3333  0.6667  0.1253  1
]