data_[K4Sn4Pb6]
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 [C2/m]
_cell_length_a [13.0111]
_cell_length_b [4.7958]
_cell_length_c [8.5723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sn2Pb3]
_chemical_formula_sum '[K4 Sn4 Pb6]'
_cell_volume [495.7358]
_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  0.1421  0.0000  0.7900  1.0
  Sn  Sn1  4  0.1547  0.0000  0.2396  1.0
  Pb  Pb2  4  0.1120  0.5000  0.4404  1.0
  Pb  Pb3  2  0.0000  0.5000  0.0000  1.0
]