data_[Zn8Bi4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5861]
_cell_length_b [13.2376]
_cell_length_c [7.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn2BiI6]
_chemical_formula_sum '[Zn8 Bi4 I24]'
_cell_volume [1599.4866]
_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
[
  Zn  Zn0  8  0.2011  0.4112  0.7578  1
  Bi  Bi1  4  0.0000  0.1846  0.7500  1
  I  I2  8  0.1256  0.0912  0.1282  1
  I  I3  8  0.1340  0.4412  0.0052  1
  I  I4  8  0.1412  0.2346  0.6011  1
]