data_[Sc8Ge2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [18.5001]
_cell_length_b [4.0372]
_cell_length_c [8.4137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc4GeI5]
_chemical_formula_sum '[Sc8 Ge2 I10]'
_cell_volume [613.2074]
_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
[
  Sc  Sc0  4  0.0004  0.0000  0.2074  1.0
  Sc  Sc1  4  0.1430  0.5000  0.0726  1.0
  Ge  Ge2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1644  0.0000  0.3317  1.0
  I  I4  4  0.1698  0.0000  0.8335  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]