data_[Cs4K8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.1618]
_cell_length_b [7.7736]
_cell_length_c [11.2766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsK2Pb]
_chemical_formula_sum '[Cs4 K8 Pb4]'
_cell_volume [984.5895]
_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
[
  Cs  Cs0  4  0.3908  0.5835  0.2838  1.0
  K  K1  4  0.0835  0.5998  0.8518  1.0
  K  K2  4  0.2090  0.1178  0.0656  1.0
  Pb  Pb3  4  0.3853  0.0855  0.4270  1.0
]