data_BCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   152.33
_cell_angle_beta   152.33
_cell_angle_gamma   39.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BCl3
_chemical_formula_sum   'B1 Cl3'
_cell_volume   93.5
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.13  1.0
  Cl  Cl2  1  0.0  0.81  0.56  1.0
  Cl  Cl3  1  0.81  0.0  0.56  1.0

data_BCl3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   109.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BCl3
_chemical_formula_sum   'B2 Cl6'
_cell_volume   187.0
_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
  B  B0  2  0.0  0.0  0.0  1.0
  Cl  Cl1  4  0.16  0.41  0.75  1.0
  Cl  Cl2  2  0.13  0.0  0.13  1.0

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