data_[Rb2Fe4Ni2I16]
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
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7066]
_cell_length_b [7.9792]
_cell_length_c [10.5666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFe2NiI8]
_chemical_formula_sum '[Rb2 Fe4 Ni2 I16]'
_cell_volume [979.8166]
_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
  Fe  Fe1  4  0.1197  0.5000  0.7943  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  I  I3  8  0.0151  0.2435  0.1902  1
  I  I4  4  0.1858  0.5000  0.5731  1
  I  I5  4  0.2309  0.0000  0.0068  1
]