data_[Nd4C8I4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5420]
_cell_length_b [9.4520]
_cell_length_c [7.8858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdC2IO6]
_chemical_formula_sum '[Nd4 C8 I4 O24]'
_cell_volume [598.0030]
_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  0.0000  0.4274  0.2500  1.0
  C  C1  8  0.2454  0.1429  0.2253  1.0
  I  I2  4  0.0000  0.1011  0.7500  1.0
  O  O3  8  0.1267  0.4106  0.6121  1.0
  O  O4  8  0.1522  0.2377  0.2233  1.0
  O  O5  8  0.2286  0.0858  0.0605  1.0
]