data_[Cs2Fe2Ge2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6383]
_cell_length_b [3.6030]
_cell_length_c [11.0766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsFeGeSe3]
_chemical_formula_sum '[Cs2 Fe2 Ge2 Se6]'
_cell_volume [336.4973]
_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  0.4410  0.7500  0.7588  1
  Fe  Fe1  2  0.0330  0.2500  0.1038  1
  Ge  Ge2  2  0.0941  0.7500  0.4445  1
  Se  Se3  2  0.0672  0.2500  0.7712  1
  Se  Se4  2  0.2114  0.7500  0.0614  1
  Se  Se5  2  0.2971  0.2500  0.4566  1
]