data_B3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   5.34
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Ir
_chemical_formula_sum   'B6 Ir2'
_cell_volume   69.83
_cell_formula_units_Z   2
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  0.31  1.0
  B  B1  1  0.17  0.67  0.7  1.0
  B  B2  1  0.17  0.52  0.22  1.0
  B  B3  1  0.17  0.81  0.22  1.0
  B  B4  1  0.0  0.85  0.79  1.0
  B  B5  1  0.0  0.48  0.79  1.0
  Ir  Ir6  1  0.17  0.0  0.08  1.0
  Ir  Ir7  1  0.0  0.67  0.93  1.0

data_B3Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.35
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Ir
_chemical_formula_sum   'B6 Ir2'
_cell_volume   69.83
_cell_formula_units_Z   2
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  0.22  0.17  0.52  1.0
  B  B1  1  0.22  0.17  0.81  1.0
  B  B2  1  0.31  0.0  0.0  1.0
  B  B3  1  0.7  0.17  0.67  1.0
  B  B4  1  0.79  0.0  0.48  1.0
  B  B5  1  0.79  0.0  0.85  1.0
  Ir  Ir6  1  0.08  0.17  0.0  1.0
  Ir  Ir7  1  0.93  0.0  0.67  1.0

B B B B B B Ir Ir