data_BOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.39
_cell_angle_alpha   106.26
_cell_angle_beta   106.26
_cell_angle_gamma   49.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BOsCl2
_chemical_formula_sum   'B1 Os1 Cl2'
_cell_volume   78.85
_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  0.62  0.0  0.52  1.0
  Os  Os3  1  0.58  0.0  0.25  1.0
  Cl  Cl1  1  0.19  0.0  0.76  1.0
  Cl  Cl2  1  0.5  0.0  0.45  1.0

data_BOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.59
_cell_length_c   8.15
_cell_angle_alpha   81.23
_cell_angle_beta   79.3
_cell_angle_gamma   65.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BOsCl2
_chemical_formula_sum   'B1 Os1 Cl2'
_cell_volume   78.85
_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  0.1  0.52  1.0
  Os  Os1  1  0.0  0.33  0.25  1.0
  Cl  Cl2  1  0.0  0.05  0.45  1.0
  Cl  Cl3  1  0.0  0.43  0.76  1.0

B Os Cl Cl