data_[K1Sn4Pb6]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [9.9545]
_cell_length_b [9.9545]
_cell_length_c [4.3031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [K(Sn2Pb3)2]
_chemical_formula_sum '[K1 Sn4 Pb6]'
_cell_volume [369.2747]
_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  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  3  0.1825  0.3650  0.5000  1.0
  Sn  Sn2  1  0.6667  0.3333  0.0000  1.0
  Pb  Pb3  3  0.0840  0.5420  0.0000  1.0
  Pb  Pb4  3  0.3853  0.1926  0.5000  1.0
]