data_[Nd8Sb2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6260]
_cell_length_b [4.4015]
_cell_length_c [9.2234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4SbI5]
_chemical_formula_sum '[Nd8 Sb2 I10]'
_cell_volume [779.2162]
_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  0.0006  0.0000  0.2260  1
  Nd  Nd1  4  0.1556  0.5000  0.0722  1
  Sb  Sb2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1677  0.0000  0.3302  1
  I  I4  4  0.1710  0.0000  0.8207  1
  I  I5  2  0.0000  0.5000  0.5000  1
]