data_[Rb4Fe2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [8.0516]
_cell_length_b [8.4871]
_cell_length_c [10.2517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Rb2FeI4]
_chemical_formula_sum '[Rb4 Fe2 I8]'
_cell_volume [664.1333]
_cell_formula_units_Z [2]
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  2  0.2117  0.7841  0.0470  1.0
  Rb  Rb1  2  0.2721  0.7880  0.5720  1.0
  Fe  Fe2  2  0.2148  0.2459  0.7954  1.0
  I  I3  2  0.0226  0.5174  0.2716  1.0
  I  I4  2  0.0299  0.5098  0.7436  1.0
  I  I5  2  0.3845  0.2216  0.0595  1.0
  I  I6  2  0.4131  0.2245  0.6360  1.0
]