data_[K2Sb3Pd4Pb1]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7770]
_cell_length_b [4.7770]
_cell_length_c [10.9230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [K2Sb3Pd4Pb]
_chemical_formula_sum '[K2 Sb3 Pd4 Pb1]'
_cell_volume [249.2595]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.7567  1.0
  Sb  Sb1  2  0.0000  0.5000  0.1166  1.0
  Sb  Sb2  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  2  0.0000  0.5000  0.3647  1.0
  Pd  Pd4  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd5  1  0.5000  0.5000  0.0000  1.0
  Pb  Pb6  1  0.5000  0.5000  0.5000  1.0
]