data_[K4Sb8Pd12]
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 [16.8306]
_cell_length_b [4.2824]
_cell_length_c [8.5796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSb2Pd3]
_chemical_formula_sum '[K4 Sb8 Pd12]'
_cell_volume [570.9675]
_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  0.1566  0.0000  0.0590  1.0
  Sb  Sb1  4  0.0243  0.5000  0.1924  1.0
  Sb  Sb2  4  0.1839  0.0000  0.6561  1.0
  Pd  Pd3  4  0.0419  0.0000  0.3804  1.0
  Pd  Pd4  4  0.0827  0.5000  0.6477  1.0
  Pd  Pd5  4  0.1828  0.5000  0.4454  1.0
]