data_[Nd8Ir2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0588]
_cell_length_b [4.2546]
_cell_length_c [9.2071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4IrI5]
_chemical_formula_sum '[Nd8 Ir2 I10]'
_cell_volume [766.0247]
_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  0.0001  0.0000  0.7957  1.0
  Nd  Nd1  4  0.1454  0.5000  0.0776  1.0
  Ir  Ir2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1677  0.0000  0.3456  1.0
  I  I4  4  0.1749  0.0000  0.8294  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]