data_[K6Sn16Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8764]
_cell_length_b [11.1886]
_cell_length_c [13.7626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3Sn8Pd3]
_chemical_formula_sum '[K6 Sn16 Pd6]'
_cell_volume [750.8936]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1785  1
  K  K1  2  0.0000  0.0000  0.5000  1
  Sn  Sn2  8  0.0000  0.2987  0.3824  1
  Sn  Sn3  8  0.0000  0.3631  0.1650  1
  Pd  Pd4  4  0.0000  0.2300  0.0000  1
  Pd  Pd5  2  0.0000  0.5000  0.5000  1
]