data_[Cs2Ge2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6692]
_cell_length_b [9.0267]
_cell_length_c [5.9886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsGeI3]
_chemical_formula_sum '[Cs2 Ge2 I6]'
_cell_volume [468.3321]
_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  0.4153  0.5000  0.5838  1.0
  Ge  Ge1  2  0.3710  0.0000  0.1165  1.0
  I  I2  4  0.1540  0.2251  0.0979  1.0
  I  I3  2  0.4298  0.0000  0.5920  1.0
]