data_B2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   144.93
_cell_angle_beta   123.83
_cell_angle_gamma   67.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2OsCl
_chemical_formula_sum   'B2 Os1 Cl1'
_cell_volume   60.47
_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  0.47  1.0
  B  B1  1  0.52  0.0  0.04  1.0
  Os  Os3  1  0.0  0.38  0.17  1.0
  Cl  Cl2  1  0.0  0.0  0.69  1.0

data_B2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.75
_cell_length_c   5.05
_cell_angle_alpha   118.08
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2OsCl
_chemical_formula_sum   'B2 Os1 Cl1'
_cell_volume   60.47
_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  0.04  0.52  1.0
  B  B1  1  0.0  0.47  0.47  1.0
  Os  Os2  1  0.62  0.79  0.79  1.0
  Cl  Cl3  1  0.0  0.69  0.69  1.0

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