data_BOs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   3.04
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   99.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BOs2Cl
_chemical_formula_sum   'B1 Os2 Cl1'
_cell_volume   58.13
_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
  Os  Os2  1  0.03  0.52  0.46  1.0
  Os  Os3  1  0.81  0.52  0.13  1.0
  Cl  Cl1  1  0.92  0.0  0.29  1.0

data_BOs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.04
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   99.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BOs2Cl
_chemical_formula_sum   'B1 Os2 Cl1'
_cell_volume   58.13
_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
  Os  Os1  1  0.03  0.52  0.46  1.0
  Os  Os2  1  0.81  0.52  0.13  1.0
  Cl  Cl3  1  0.92  0.0  0.29  1.0

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