data_[Cs1Sm1Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  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 [7.4943]
_cell_length_b [7.9458]
_cell_length_c [10.3769]
_cell_angle_alpha [83.2695]
_cell_angle_beta [83.8558]
_cell_angle_gamma [86.3596]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSm(SnI4)2]
_chemical_formula_sum '[Cs1 Sm1 Sn2 I8]'
_cell_volume [609.3217]
_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
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4719  0.4841  0.7458  1.0
  I  I3  2  0.2269  0.3243  0.9783  1.0
  I  I4  2  0.2479  0.8370  0.2058  1.0
  I  I5  2  0.2615  0.3915  0.5440  1.0
  I  I6  2  0.2633  0.8501  0.7860  1.0
]