data_[Ce12Ge4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [7.6834]
_cell_length_b [13.2717]
_cell_length_c [7.7446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3GeI2]
_chemical_formula_sum '[Ce12 Ge4 I8]'
_cell_volume [746.0507]
_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
[
  Ce  Ce0  8  0.2476  0.3240  0.7750  1.0
  Ce  Ce1  4  0.2171  0.5000  0.2150  1.0
  Ge  Ge2  4  0.0000  0.3311  0.0000  1.0
  I  I3  4  0.0000  0.1581  0.5000  1.0
  I  I4  2  0.0000  0.0000  0.0000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]