data_B2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrOs
_chemical_formula_sum   'B2 Ir1 Os1'
_cell_volume   41.94
_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  0.4  0.4  0.09  1.0
  B  B1  1  0.0  0.0  0.22  1.0
  Ir  Ir2  1  0.4  0.4  0.28  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   3.96
_cell_length_b   3.96
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2IrOs
_chemical_formula_sum   'B4 Ir2 Os2'
_cell_volume   83.88
_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  0.22  1.0
  B  B1  2  0.4  0.0  0.09  1.0
  Os  Os2  2  0.0  0.0  0.46  1.0
  Ir  Ir3  2  0.4  0.0  0.28  1.0

B B Ir Os
B B Ir Os 0 2 o o o 1 3 o o o 