data_[Rb4Na4Fe4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9122]
_cell_length_b [14.0779]
_cell_length_c [10.7590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbNaFeI5]
_chemical_formula_sum '[Rb4 Na4 Fe4 I20]'
_cell_volume [1513.6689]
_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  4  0.0000  0.3393  0.7500  1.0
  Na  Na1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.3304  0.2500  1.0
  I  I3  8  0.1179  0.2263  0.1361  1.0
  I  I4  8  0.1688  0.4350  0.4359  1.0
  I  I5  4  0.0000  0.0875  0.7500  1.0
]