data_[Bi4I4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  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 [9.0908]
_cell_length_b [6.5923]
_cell_length_c [7.7956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BiIO5]
_chemical_formula_sum '[Bi4 I4 O20]'
_cell_volume [421.6311]
_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  0.4663  0.2500  1.0
  I  I1  4  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.0085  0.2872  0.9714  1.0
  O  O3  8  0.2238  0.0108  0.6146  1.0
  O  O4  4  0.0000  0.0807  0.2500  1.0
]