data_[Rb1Sc1Sn2I8]
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
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2261]
_cell_length_b [9.6824]
_cell_length_c [7.6953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbSc(SnI4)2]
_chemical_formula_sum '[Rb1 Sc1 Sn2 I8]'
_cell_volume [538.1650]
_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  0.5000  0.0000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.5000  0.2447  0.5000  1.0
  I  I3  4  0.2452  0.2084  0.1513  1.0
  I  I4  2  0.2288  0.0000  0.6834  1.0
  I  I5  2  0.2701  0.5000  0.6222  1.0
]