data_BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   4.95
_cell_angle_alpha   102.41
_cell_angle_beta   102.41
_cell_angle_gamma   46.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIr
_chemical_formula_sum   'B2 Ir2'
_cell_volume   44.91
_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  0.03  0.0  0.49  1.0
  B  B1  1  0.38  0.0  0.33  1.0
  Ir  Ir2  1  0.9  0.0  0.52  1.0
  Ir  Ir3  1  0.51  0.0  0.3  1.0

data_BIr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.84
_cell_length_b   3.58
_cell_length_c   4.95
_cell_angle_alpha   102.41
_cell_angle_beta   90.0
_cell_angle_gamma   113.35
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BIr
_chemical_formula_sum   'B2 Ir2'
_cell_volume   44.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.33  0.58  1.0
  Ir  Ir1  2  0.0  0.2  0.61  1.0

B B Ir Ir