data_BPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.85
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   112.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPCl2
_chemical_formula_sum   'B1 P1 Cl2'
_cell_volume   89.04
_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  0.47  0.0  0.53  1.0
  P  P3  1  0.34  0.42  0.42  1.0
  Cl  Cl1  1  0.54  0.42  0.35  1.0
  Cl  Cl2  1  0.3  0.0  0.98  1.0

data_BPCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.48
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPCl2
_chemical_formula_sum   'B1 P1 Cl2'
_cell_volume   89.04
_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  0.53  0.47  0.0  1.0
  P  P1  1  0.66  0.58  0.58  1.0
  Cl  Cl2  1  0.46  0.65  0.58  1.0
  Cl  Cl3  1  0.7  0.02  0.0  1.0

B P Cl Cl