data_[Cs1Sc1Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-1]
_cell_length_a [7.3805]
_cell_length_b [7.8710]
_cell_length_c [10.3401]
_cell_angle_alpha [81.5699]
_cell_angle_beta [84.0713]
_cell_angle_gamma [84.2837]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSc(SnI4)2]
_chemical_formula_sum '[Cs1 Sc1 Sn2 I8]'
_cell_volume [588.8290]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4597  0.4733  0.7502  1.0
  I  I3  2  0.2079  0.3070  0.9745  1.0
  I  I4  2  0.2364  0.8395  0.2017  1.0
  I  I5  2  0.2516  0.8549  0.8030  1.0
  I  I6  2  0.2668  0.3837  0.5390  1.0
]