data_[Cs12Rb4Pb4]
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 [C2/m]
_cell_length_a [24.0955]
_cell_length_b [5.1409]
_cell_length_c [13.5413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3RbPb]
_chemical_formula_sum '[Cs12 Rb4 Pb4]'
_cell_volume [1673.8473]
_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  0.0656  0.5000  0.7631  1.0
  Cs  Cs1  4  0.1109  0.0000  0.0675  1.0
  Cs  Cs2  4  0.2430  0.0000  0.7332  1.0
  Rb  Rb3  4  0.0952  0.0000  0.4391  1.0
  Pb  Pb4  4  0.2186  0.5000  0.9579  1.0
]