data_[Nb4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [14.9329]
_cell_length_b [15.8984]
_cell_length_c [7.1754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb(AuI3)2]
_chemical_formula_sum '[Nb4 Au8 I24]'
_cell_volume [1698.0444]
_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
[
  Nb  Nb0  4  0.0000  0.0807  0.7500  1.0
  Au  Au1  8  0.1027  0.4995  0.7749  1.0
  I  I2  8  0.1011  0.0599  0.0982  1.0
  I  I3  8  0.1144  0.3813  0.0282  1.0
  I  I4  8  0.1218  0.1888  0.6320  1.0
]