data_[Cs2Fe4Ge2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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/m]
_cell_length_a [12.1811]
_cell_length_b [8.3095]
_cell_length_c [11.0642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsFe2GeI8]
_chemical_formula_sum '[Cs2 Fe4 Ge2 I16]'
_cell_volume [1106.6040]
_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
  Fe  Fe1  4  0.1095  0.5000  0.7932  1
  Ge  Ge2  2  0.0000  0.0000  0.0000  1
  I  I3  8  0.0232  0.2528  0.2013  1
  I  I4  4  0.1828  0.5000  0.5893  1
  I  I5  4  0.2481  0.0000  0.0090  1
]