data_[Cs2Cr2Fe4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  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 [11.8936]
_cell_length_b [8.1112]
_cell_length_c [10.9747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCr(FeI4)2]
_chemical_formula_sum '[Cs2 Cr2 Fe4 I16]'
_cell_volume [1048.6590]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1185  0.5000  0.8034  1.0
  I  I3  8  0.0232  0.2454  0.1862  1.0
  I  I4  4  0.1800  0.5000  0.5888  1.0
  I  I5  4  0.2324  0.0000  0.9972  1.0
]