data_[K8Tl16Pd8]
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 [Pnma]
_cell_length_a [17.1830]
_cell_length_b [8.1671]
_cell_length_c [6.3846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KTl2Pd]
_chemical_formula_sum '[K8 Tl16 Pd8]'
_cell_volume [895.9800]
_cell_formula_units_Z [8]
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  0.1044  0.2500  0.7255  1
  K  K1  4  0.1348  0.7500  0.5295  1
  Tl  Tl2  8  0.0417  0.0545  0.2288  1
  Tl  Tl3  8  0.2129  0.5488  0.0231  1
  Pd  Pd4  4  0.0724  0.7500  0.0134  1
  Pd  Pd5  4  0.1874  0.2500  0.2572  1
]