data_[Fe4Ge4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4502]
_cell_length_b [11.0814]
_cell_length_c [11.2265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [FeGeI5]
_chemical_formula_sum '[Fe4 Ge4 I20]'
_cell_volume [1234.7102]
_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
[
  Fe  Fe0  4  0.0000  0.3875  0.2500  1
  Ge  Ge1  4  0.0000  0.0000  0.0000  1
  I  I2  8  0.0243  0.2672  0.4561  1
  I  I3  8  0.1965  0.4626  0.8368  1
  I  I4  4  0.0000  0.0808  0.7500  1
]