data_[K4Cd4Pb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6340]
_cell_length_b [4.4019]
_cell_length_c [8.1206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cd2PbSe4]
_chemical_formula_sum '[K4 Cd4 Pb2 Se8]'
_cell_volume [559.9685]
_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  0.1219  0.0000  0.5416  1.0
  Cd  Cd1  4  0.1702  0.5000  0.9831  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0192  0.5000  0.7437  1.0
  Se  Se4  4  0.2092  0.0000  0.1949  1.0
]