data_B2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   22.34
_cell_angle_beta   22.34
_cell_angle_gamma   22.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrOs
_chemical_formula_sum   'B2 Ir1 Os1'
_cell_volume   43.35
_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  0.24  1.0
  B  B1  1  0.0  0.0  0.09  1.0
  Ir  Ir2  1  0.0  0.0  0.88  1.0
  Os  Os3  1  0.0  0.0  0.46  1.0

data_B2IrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   2.71
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2IrOs
_chemical_formula_sum   'B4 Ir2 Os2'
_cell_volume   86.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.76  1.0
  B  B1  2  0.0  0.0  0.91  1.0
  Ir  Ir2  2  0.0  0.0  0.12  1.0
  Os  Os3  2  0.0  0.0  0.54  1.0

B B Ir Os