data_[Cs3Rb9Cu12I36]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [15.9869]
_cell_length_b [15.9869]
_cell_length_c [15.6455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsRb3(CuI3)4]
_chemical_formula_sum '[Cs3 Rb9 Cu12 I36]'
_cell_volume [3462.9752]
_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
  Rb  Rb1  9  0.0000  0.5120  0.0000  1
  Cu  Cu2  9  0.0000  0.4735  0.5000  1
  Cu  Cu3  3  0.0000  0.0000  0.5000  1
  I  I4  18  0.0153  0.1653  0.8054  1
  I  I5  9  0.0000  0.6351  0.5000  1
  I  I6  9  0.0000  0.8439  0.5000  1
]