data_[K8Sn20Pd12]
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 [Ibam]
_cell_length_a [11.3176]
_cell_length_b [13.3985]
_cell_length_c [6.6599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K2Sn5Pd3]
_chemical_formula_sum '[K8 Sn20 Pd12]'
_cell_volume [1009.8961]
_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  0.2342  0.3574  0.0000  1
  Sn  Sn1  8  0.0000  0.2288  0.2500  1
  Sn  Sn2  8  0.1591  0.0922  0.0000  1
  Sn  Sn3  4  0.0000  0.5000  0.2500  1
  Pd  Pd4  8  0.1063  0.3660  0.5000  1
  Pd  Pd5  4  0.0000  0.0000  0.2500  1
]