data_[K4Tl8Pd12]
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 [C2/m]
_cell_length_a [16.7478]
_cell_length_b [4.1709]
_cell_length_c [9.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTl2Pd3]
_chemical_formula_sum '[K4 Tl8 Pd12]'
_cell_volume [585.6521]
_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  4  0.1486  0.0000  0.0339  1.0
  Tl  Tl1  4  0.0293  0.5000  0.1907  1.0
  Tl  Tl2  4  0.1966  0.0000  0.6833  1.0
  Pd  Pd3  4  0.0450  0.0000  0.3997  1.0
  Pd  Pd4  4  0.0782  0.5000  0.6403  1.0
  Pd  Pd5  4  0.1848  0.5000  0.4583  1.0
]