data_B2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   3.96
_cell_angle_alpha   138.43
_cell_angle_beta   138.43
_cell_angle_gamma   60.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2Ir
_chemical_formula_sum   'B2 Ir1'
_cell_volume   27.15
_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  0.19  1.0
  B  B1  1  0.0  0.0  0.66  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0

data_B2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   120.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2Ir
_chemical_formula_sum   'B4 Ir2'
_cell_volume   54.3
_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  0.31  0.5  0.81  1.0
  B  B1  2  0.34  0.0  0.34  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0

B B Ir