data_[K3Rb3Pb6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.7607]
_cell_length_b [8.7607]
_cell_length_c [22.3126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KRb(PbI3)2]
_chemical_formula_sum '[K3 Rb3 Pb6 I18]'
_cell_volume [1483.0729]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  3  0.0000  0.0000  0.2019  1.0
  K  K1  3  0.0000  0.0000  0.6948  1.0
  Pb  Pb2  3  0.0000  0.0000  0.4866  1.0
  Pb  Pb3  3  0.0000  0.0000  0.9890  1.0
  I  I4  9  0.0083  0.3952  0.7439  1.0
  I  I5  9  0.0106  0.5995  0.2449  1.0
]