data_[K6Sb8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2570]
_cell_length_b [4.5049]
_cell_length_c [9.9579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(Sb2Pd)2]
_chemical_formula_sum '[K6 Sb8 Pd4]'
_cell_volume [579.8610]
_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  0.1226  0.5000  0.4017  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.0961  0.0000  0.6746  1
  Sb  Sb3  4  0.2148  0.5000  0.0972  1
  Pd  Pd4  4  0.1749  0.5000  0.8170  1
]