data_[Bi4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  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 [14.5549]
_cell_length_b [14.6678]
_cell_length_c [8.5849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Bi(AuI3)2]
_chemical_formula_sum '[Bi4 Au8 I24]'
_cell_volume [1760.2777]
_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
[
  Bi  Bi0  4  0.0000  0.0920  0.7500  1
  Au  Au1  8  0.2191  0.4673  0.7313  1
  I  I2  8  0.1064  0.4863  0.9485  1
  I  I3  8  0.1094  0.1017  0.1281  1
  I  I4  8  0.1325  0.2161  0.6695  1
]