data_[K12Tl36Ag6Pd6]
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
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6824]
_cell_length_b [7.6824]
_cell_length_c [38.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Tl6AgPd]
_chemical_formula_sum '[K12 Tl36 Ag6 Pd6]'
_cell_volume [1947.9231]
_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  0.1084  1.0
  K  K1  6  0.0000  0.0000  0.2808  1.0
  Tl  Tl2  18  0.0411  0.5205  0.3001  1.0
  Tl  Tl3  18  0.0488  0.5244  0.8652  1.0
  Ag  Ag4  6  0.0000  0.0000  0.4257  1.0
  Pd  Pd5  3  -0.0000  -0.0000  0.5000  1.0
  Pd  Pd6  3  0.0000  0.0000  0.0000  1.0
]