data_[Cs1Tm1Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  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 [7.6736]
_cell_length_b [8.2315]
_cell_length_c [10.5723]
_cell_angle_alpha [72.8878]
_cell_angle_beta [80.2374]
_cell_angle_gamma [77.7859]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTm(SnI4)2]
_chemical_formula_sum '[Cs1 Tm1 Sn2 I8]'
_cell_volume [619.6697]
_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
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4598  0.4394  0.7327  1.0
  I  I3  2  0.1423  0.7193  0.2424  1.0
  I  I4  2  0.2366  0.8124  0.8162  1.0
  I  I5  2  0.2812  0.2090  0.9909  1.0
  I  I6  2  0.4208  0.2574  0.5358  1.0
]