data_Re2BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   146.05
_cell_angle_beta   125.56
_cell_angle_gamma   65.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2BIr
_chemical_formula_sum   'Re2 B1 Ir1'
_cell_volume   51.37
_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  Re2  1  0.42  0.0  0.67  1.0
  Re  Re3  1  0.0  0.22  0.41  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.08  1.0

data_Re2BIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.44
_cell_length_c   4.86
_cell_angle_alpha   117.22
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2BIr
_chemical_formula_sum   'Re2 B1 Ir1'
_cell_volume   51.37
_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  0.67  0.25  1.0
  Re  Re1  1  0.78  0.19  0.19  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.08  0.08  1.0

Re Re B Ir