data_[Cs3K1Pb2I9]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [9.0529]
_cell_length_b [9.0529]
_cell_length_c [11.2082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3KPb2I9]
_chemical_formula_sum '[Cs3 K1 Pb2 I9]'
_cell_volume [795.5075]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6688  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  K  K2  1  0.0000  0.0000  0.5000  1
  Pb  Pb3  2  0.3333  0.6667  0.1643  1
  I  I4  6  0.1724  0.3448  0.3205  1
  I  I5  3  0.0000  0.5000  0.0000  1
]