data_Bi3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01
_cell_length_b   10.01
_cell_length_c   10.01
_cell_angle_alpha   21.88
_cell_angle_beta   21.88
_cell_angle_gamma   21.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Cl
_chemical_formula_sum   'Bi3 Cl1'
_cell_volume   122.07
_cell_formula_units_Z   1
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  0.0  0.0  0.35  1.0
  Bi  Bi1  1  0.0  0.0  0.65  1.0
  Bi  Bi2  1  0.0  0.0  0.95  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_Bi3Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   3.8
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   102.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi3Cl
_chemical_formula_sum   'Bi6 Cl2'
_cell_volume   244.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.65  1.0
  Bi  Bi1  2  -0.0  0.0  0.35  1.0
  Bi  Bi2  2  -0.0  0.0  0.05  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Bi Bi Bi Cl
Bi Bi Bi Cl 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o - 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o + 1 2 o o o 2 3 o o + 