data_[Nd8Sn2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [19.7793]
_cell_length_b [4.4453]
_cell_length_c [9.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4SnI5]
_chemical_formula_sum '[Nd8 Sn2 I10]'
_cell_volume [791.4688]
_cell_formula_units_Z [2]
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
[
  Nd  Nd0  4  0.0012  0.0000  0.2271  1.0
  Nd  Nd1  4  0.1546  0.5000  0.0735  1.0
  Sn  Sn2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1678  0.0000  0.3292  1.0
  I  I4  4  0.1706  0.0000  0.8247  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]