data_BiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   8.91
_cell_angle_alpha   125.06
_cell_angle_beta   125.06
_cell_angle_gamma   31.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiCl2
_chemical_formula_sum   'Bi2 Cl4'
_cell_volume   199.14
_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
  Bi  Bi0  1  0.92  0.0  0.9  1.0
  Bi  Bi1  1  0.76  0.0  0.25  1.0
  Cl  Cl2  1  0.68  0.0  0.76  1.0
  Cl  Cl3  1  0.32  0.0  0.98  1.0
  Cl  Cl4  1  0.35  0.0  0.16  1.0
  Cl  Cl5  1  0.99  0.0  0.39  1.0

data_BiCl2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.98
_cell_length_b   7.28
_cell_length_c   7.61
_cell_angle_alpha   73.54
_cell_angle_beta   74.83
_cell_angle_gamma   74.12
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiCl2
_chemical_formula_sum   'Bi2 Cl4'
_cell_volume   199.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.25  0.17  1.0
  Cl  Cl1  2  0.0  0.08  0.91  1.0
  Cl  Cl2  2  0.0  0.34  0.32  1.0

Bi Bi Cl Cl Cl Cl
Bi Bi Cl Cl Cl Cl 0 2 o o o 1 5 o o o 3 4 o o + 