data_[Cs12Rb4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8863]
_cell_length_b [17.4467]
_cell_length_c [12.5896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Rb]
_chemical_formula_sum '[Cs12 Rb4]'
_cell_volume [1883.1125]
_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  8  0.1314  0.6599  0.2701  1.0
  Cs  Cs1  4  0.1827  0.0000  0.3678  1.0
  Rb  Rb2  4  0.0000  0.1352  0.0000  1.0
]