data_[Cs4Cu4Ge2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  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 [14.3899]
_cell_length_b [8.4091]
_cell_length_c [9.0323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Cu2GeI6]
_chemical_formula_sum '[Cs4 Cu4 Ge2 I12]'
_cell_volume [946.8387]
_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  4  0.2212  0.5000  0.2141  1.0
  Cu  Cu1  4  0.0633  0.0000  0.2707  1.0
  Ge  Ge2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0347  0.2591  0.7749  1.0
  I  I4  4  0.2431  0.5000  0.6668  1.0
]