data_[K2In2Pb22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5894]
_cell_length_b [16.1640]
_cell_length_c [8.7604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KInPb11]
_chemical_formula_sum '[K2 In2 Pb22]'
_cell_volume [870.3828]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  2  0.0000  0.5000  0.5000  1
  Pb  Pb2  8  0.1049  0.3917  0.2205  1
  Pb  Pb3  8  0.1826  0.8243  0.3559  1
  Pb  Pb4  4  0.2500  0.2500  0.0000  1
  Pb  Pb5  2  0.0000  0.0000  0.5000  1
]