data_[K3Sn6Pd3]
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 [R3m]
_cell_length_a [4.5053]
_cell_length_b [4.5053]
_cell_length_c [20.8616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KSn2Pd]
_chemical_formula_sum '[K3 Sn6 Pd3]'
_cell_volume [366.7163]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5028  1.0
  Sn  Sn1  3  0.0000  0.0000  0.7123  1.0
  Sn  Sn2  3  0.0000  0.0000  0.9553  1.0
  Pd  Pd3  3  0.0000  0.0000  0.3296  1.0
]