data_[Rb12Zn4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [15.4989]
_cell_length_b [20.0768]
_cell_length_c [6.8729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb3ZnI6]
_chemical_formula_sum '[Rb12 Zn4 I24]'
_cell_volume [2138.6324]
_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
[
  Rb  Rb0  8  0.1836  0.1201  0.0284  1.0
  Rb  Rb1  4  0.0000  0.3801  0.0524  1.0
  Zn  Zn2  4  0.0000  0.2045  0.4584  1.0
  I  I3  8  0.1421  0.2668  0.3390  1.0
  I  I4  8  0.1612  0.4980  0.7870  1.0
  I  I5  4  0.0000  0.0777  0.3566  1.0
  I  I6  4  0.0000  0.2121  0.8386  1.0
]