data_Re5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   21.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Ir
_chemical_formula_sum   'Re5 Ir1'
_cell_volume   89.07
_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  Re1  1  0.0  0.0  0.23  1.0
  Re  Re2  1  0.22  0.0  0.83  1.0
  Re  Re3  1  0.0  0.0  0.05  1.0
  Re  Re4  1  0.22  0.0  0.64  1.0
  Re  Re5  1  0.0  0.0  0.87  1.0
  Ir  Ir0  1  0.22  0.0  0.02  1.0

data_Re5Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.44
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Ir
_chemical_formula_sum   'Re5 Ir1'
_cell_volume   89.07
_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  0.13  0.0  0.13  1.0
  Re  Re1  1  0.17  0.22  0.17  1.0
  Re  Re2  1  0.36  0.22  0.36  1.0
  Re  Re3  1  0.77  0.0  0.77  1.0
  Re  Re4  1  0.95  0.0  0.95  1.0
  Ir  Ir5  1  0.98  0.22  0.98  1.0

Re Re Re Re Re Ir