data_[Cs1Rb3Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.0859]
_cell_length_b [7.0859]
_cell_length_c [10.5960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsRb3Pb8]
_chemical_formula_sum '[Cs1 Rb3 Pb8]'
_cell_volume [460.7490]
_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  1  0.0000  0.0000  0.4363  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0657  1.0
  Rb  Rb2  1  0.6667  0.3333  0.5668  1.0
  Rb  Rb3  1  0.6667  0.3333  0.9343  1.0
  Pb  Pb4  3  0.0017  0.5008  0.2478  1.0
  Pb  Pb5  3  0.1698  0.8302  0.7519  1.0
  Pb  Pb6  1  0.3333  0.6667  0.4989  1.0
  Pb  Pb7  1  0.3333  0.6667  0.9986  1.0
]