data_[K4Na4Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  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 [16.3530]
_cell_length_b [4.7711]
_cell_length_c [9.5435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNaPbSe2]
_chemical_formula_sum '[K4 Na4 Pb4 Se8]'
_cell_volume [741.5433]
_cell_formula_units_Z [4]
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  0.1876  0.5000  0.6706  1.0
  Na  Na1  4  0.1908  0.5000  0.0557  1.0
  Pb  Pb2  4  0.0598  0.0000  0.2028  1.0
  Se  Se3  4  0.1281  0.0000  0.9283  1.0
  Se  Se4  4  0.1478  0.5000  0.3323  1.0
]