data_[Bi4H4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8974]
_cell_length_b [12.6917]
_cell_length_c [6.7727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BiHCl4]
_chemical_formula_sum '[Bi4 H4 Cl16]'
_cell_volume [613.8424]
_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  0.3960  0.7500  1.0
  H  H1  4  0.0000  0.2365  0.2500  1.0
  Cl  Cl2  8  0.1006  0.2324  0.0960  1.0
  Cl  Cl3  8  0.2177  0.4643  0.5361  1.0
]