data_[Nd8H4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.5527]
_cell_length_b [4.1138]
_cell_length_c [7.1503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2HI2]
_chemical_formula_sum '[Nd8 H4 I8]'
_cell_volume [660.0671]
_cell_formula_units_Z [4]
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  0.1861  0.5000  0.3999  1.0
  Nd  Nd1  4  0.1861  0.0000  0.8926  1.0
  H  H2  4  0.2099  0.0000  0.5686  1.0
  I  I3  4  0.0890  0.5000  0.6975  1.0
  I  I4  4  0.0917  0.0000  0.1982  1.0
]