data_[Cs1Nd1Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  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 [7.5110]
_cell_length_b [7.9632]
_cell_length_c [10.3782]
_cell_angle_alpha [83.4773]
_cell_angle_beta [84.0497]
_cell_angle_gamma [86.7101]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNd(SnI4)2]
_chemical_formula_sum '[Cs1 Nd1 Sn2 I8]'
_cell_volume [612.7427]
_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
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4742  0.4860  0.7454  1.0
  I  I3  2  0.2307  0.3274  0.9788  1.0
  I  I4  2  0.2504  0.8362  0.2076  1.0
  I  I5  2  0.2616  0.3916  0.5446  1.0
  I  I6  2  0.2650  0.8492  0.7839  1.0
]