data_B3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   3.97
_cell_angle_alpha   139.25
_cell_angle_beta   123.88
_cell_angle_gamma   71.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Os
_chemical_formula_sum   'B3 Os1'
_cell_volume   33.27
_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  0.38  0.0  0.38  1.0
  B  B1  1  0.0  0.87  0.84  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.22  1.0

data_B3Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.74
_cell_length_c   3.97
_cell_angle_alpha   118.06
_cell_angle_beta   110.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Os
_chemical_formula_sum   'B3 Os1'
_cell_volume   33.27
_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
  B  B1  1  0.0  0.38  1.0  1.0
  B  B2  1  0.13  0.97  0.97  1.0
  Os  Os3  1  0.0  0.22  0.22  1.0

B B B Os