data_[Na3Ge6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7587]
_cell_length_b [7.7587]
_cell_length_c [25.7952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na(GeI3)2]
_chemical_formula_sum '[Na3 Ge6 I18]'
_cell_volume [1344.7807]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.3337  1.0
  Ge  Ge1  3  0.0000  0.0000  0.6152  1.0
  Ge  Ge2  3  0.0000  0.0000  0.7178  1.0
  I  I3  9  0.0015  0.3572  0.0857  1.0
  I  I4  9  0.0034  0.6418  0.9140  1.0
]