data_BiB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   3.59
_cell_angle_alpha   94.89
_cell_angle_beta   94.89
_cell_angle_gamma   34.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Cl
_chemical_formula_sum   'Bi1 B2 Cl1'
_cell_volume   86.55
_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  Bi2  1  0.19  0.0  0.18  1.0
  B  B0  1  0.32  0.0  0.52  1.0
  B  B1  1  0.65  0.0  0.06  1.0
  Cl  Cl3  1  0.49  0.0  0.18  1.0

data_BiB2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.85
_cell_length_c   6.58
_cell_angle_alpha   107.01
_cell_angle_beta   94.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Cl
_chemical_formula_sum   'Bi1 B2 Cl1'
_cell_volume   86.55
_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  0.82  0.0  0.81  1.0
  B  B1  1  0.48  0.0  0.68  1.0
  B  B2  1  0.94  0.0  0.35  1.0
  Cl  Cl3  1  0.82  0.0  0.51  1.0

Bi B B Cl