data_[Rb1Sc1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0996]
_cell_length_b [7.8812]
_cell_length_c [10.4639]
_cell_angle_alpha [90.9560]
_cell_angle_beta [93.4270]
_cell_angle_gamma [96.6526]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbSc(GeI4)2]
_chemical_formula_sum '[Rb1 Sc1 Ge2 I8]'
_cell_volume [580.3382]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4421  0.5758  0.8076  1.0
  I  I3  2  0.2130  0.6979  0.9873  1.0
  I  I4  2  0.2199  0.1769  0.8160  1.0
  I  I5  2  0.2610  0.6279  0.5838  1.0
  I  I6  2  0.2712  0.1303  0.2127  1.0
]