data_[K2Sb2Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8934]
_cell_length_b [9.0459]
_cell_length_c [9.0577]
_cell_angle_alpha [91.1773]
_cell_angle_beta [119.2476]
_cell_angle_gamma [119.3179]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KSb(PbSe2)2]
_chemical_formula_sum '[K2 Sb2 Pb4 Se8]'
_cell_volume [521.0287]
_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  1  0.5088  0.5067  0.9953  1.0
  K  K1  1  0.9925  0.5027  0.9952  1.0
  Sb  Sb2  1  0.0217  0.0205  0.9710  1.0
  Sb  Sb3  1  0.4542  0.4795  0.4449  1.0
  Pb  Pb4  1  0.0083  0.9970  0.5038  1.0
  Pb  Pb5  1  0.0336  0.5270  0.4967  1.0
  Pb  Pb6  1  0.4897  0.9893  0.5013  1.0
  Pb  Pb7  1  0.4916  0.0042  0.9592  1.0
  Se  Se8  1  0.0190  0.7492  0.2880  1.0
  Se  Se9  1  0.0315  0.7960  0.7807  1.0
  Se  Se10  1  0.0379  0.2755  0.2845  1.0
  Se  Se11  1  0.4474  0.2409  0.2429  1.0
  Se  Se12  1  0.4794  0.2173  0.7403  1.0
  Se  Se13  1  0.4883  0.7597  0.7403  1.0
  Se  Se14  1  0.5023  0.7189  0.2875  1.0
  Se  Se15  1  0.9938  0.2156  0.7684  1.0
]