data_[Al4Bi2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7004]
_cell_length_b [11.4098]
_cell_length_c [7.8778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2BiI8]
_chemical_formula_sum '[Al4 Bi2 I16]'
_cell_volume [1230.5754]
_cell_formula_units_Z [2]
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
[
  Al  Al0  4  0.2103  0.0000  0.6761  1.0
  Bi  Bi1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1067  0.1810  0.7760  1.0
  I  I3  4  0.1248  0.5000  0.1730  1.0
  I  I4  4  0.2149  0.0000  0.3559  1.0
]