data_[Rb2Zn2Fe4I16]
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
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8689]
_cell_length_b [8.2138]
_cell_length_c [10.6488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbZn(FeI4)2]
_chemical_formula_sum '[Rb2 Zn2 Fe4 I16]'
_cell_volume [1029.5166]
_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  0.0000  0.0000  0.5000  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.1169  0.5000  0.7884  1
  I  I3  8  0.0168  0.2485  0.2012  1
  I  I4  4  0.1898  0.5000  0.5737  1
  I  I5  4  0.2385  0.0000  0.0086  1
]