data_[K12Tl12Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9905]
_cell_length_b [12.3869]
_cell_length_c [16.6013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3Tl3Pd2]
_chemical_formula_sum '[K12 Tl12 Pd8]'
_cell_volume [1026.2415]
_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  8  0.0000  0.0714  0.6076  1.0
  K  K1  4  0.0000  0.3890  0.7500  1.0
  Tl  Tl2  8  0.0000  0.3532  0.5361  1.0
  Tl  Tl3  4  0.0000  0.3119  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2128  0.1014  1.0
]