data_[Li4Bi12I8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmcm]
_cell_length_a [5.6427]
_cell_length_b [13.6753]
_cell_length_c [11.2548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiBi3(IO2)2]
_chemical_formula_sum '[Li4 Bi12 I8 O16]'
_cell_volume [868.4797]
_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
[
  Li  Li0  4  0.0000  0.2172  0.7500  1.0
  Bi  Bi1  8  0.0000  0.3325  0.0055  1.0
  Bi  Bi2  4  0.0000  0.1584  0.2500  1.0
  I  I3  4  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.4925  0.7500  1.0
  O  O5  16  0.2465  0.2431  0.1233  1.0
]