data_ReBIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.69
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBIr2
_chemical_formula_sum   'Re1 B1 Ir2'
_cell_volume   52.68
_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
  Re  Re3  1  0.0  0.0  0.59  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.38  0.85  0.25  1.0
  Ir  Ir2  1  0.38  0.85  0.93  1.0

data_ReBIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.69
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBIr2
_chemical_formula_sum   'Re1 B1 Ir2'
_cell_volume   52.68
_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
  Re  Re0  1  0.0  0.0  0.59  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.38  0.85  0.25  1.0
  Ir  Ir3  1  0.38  0.85  0.93  1.0

Re B Ir Ir