data_[Bi4I4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0429]
_cell_length_b [19.1399]
_cell_length_c [7.0526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BiICl4]
_chemical_formula_sum '[Bi4 I4 Cl16]'
_cell_volume [1082.2635]
_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  0.0547  0.2500  1
  I  I1  4  0.0000  0.3446  0.7500  1
  Cl  Cl2  8  0.1916  0.0452  0.5883  1
  Cl  Cl3  8  0.1930  0.1601  0.1145  1
]