data_[Cs3Rb9Fe12Cl36]
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
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [15.2696]
_cell_length_b [15.2696]
_cell_length_c [12.7381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsRb3(FeCl3)4]
_chemical_formula_sum '[Cs3 Rb9 Fe12 Cl36]'
_cell_volume [2572.1237]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.0000  1.0
  Rb  Rb1  9  0.0000  0.5355  0.0000  1.0
  Fe  Fe2  9  0.0000  0.4605  0.5000  1.0
  Fe  Fe3  3  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  18  0.0151  0.2016  0.1646  1.0
  Cl  Cl5  9  0.0000  0.6050  0.5000  1.0
  Cl  Cl6  9  0.0000  0.8556  0.5000  1.0
]