data_[Nd4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8715]
_cell_length_b [15.2093]
_cell_length_c [8.5063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd(AuI3)2]
_chemical_formula_sum '[Nd4 Au8 I24]'
_cell_volume [1740.2614]
_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  0.0864  0.2500  1.0
  Au  Au1  8  0.2240  0.4828  0.3035  1.0
  I  I2  8  0.1082  0.0929  0.6721  1.0
  I  I3  8  0.1083  0.4583  0.9375  1.0
  I  I4  8  0.1564  0.1977  0.2288  1.0
]