data_[Rb8Ge4H4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7393]
_cell_length_b [21.9264]
_cell_length_c [14.5965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2GeHI5]
_chemical_formula_sum '[Rb8 Ge4 H4 I20]'
_cell_volume [1516.8050]
_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
[
  Rb  Rb0  4  0.0000  0.1344  0.6997  1.0
  Rb  Rb1  4  0.0000  0.1405  0.3389  1.0
  Ge  Ge2  4  0.0000  0.1839  0.0220  1.0
  H  H3  4  0.0000  0.4738  0.3885  1.0
  I  I4  4  0.0000  0.0575  0.0293  1.0
  I  I5  4  0.0000  0.3041  0.6600  1.0
  I  I6  4  0.0000  0.3090  0.3820  1.0
  I  I7  4  0.0000  0.3415  0.0202  1.0
  I  I8  4  0.0000  0.4985  0.7833  1.0
]