data_Fe4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Ir5
_chemical_formula_sum   'Fe8 Ir10'
_cell_volume   244.35
_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
  Fe  Fe0  1  0.0  0.0  0.62  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.89  0.0  0.93  1.0
  Fe  Fe3  1  0.56  0.23  0.93  1.0
  Fe  Fe4  1  0.23  0.12  0.93  1.0
  Fe  Fe5  1  0.45  0.0  0.31  1.0
  Fe  Fe6  1  0.77  0.12  0.31  1.0
  Fe  Fe7  1  0.44  0.23  0.31  1.0
  Ir  Ir8  1  0.4  0.0  0.93  1.0
  Ir  Ir9  1  0.8  0.08  0.93  1.0
  Ir  Ir10  1  0.47  0.27  0.93  1.0
  Ir  Ir11  1  0.94  0.0  0.31  1.0
  Ir  Ir12  1  0.53  0.27  0.31  1.0
  Ir  Ir13  1  0.2  0.08  0.31  1.0
  Ir  Ir14  1  0.0  0.24  0.62  1.0
  Ir  Ir15  1  0.67  0.12  0.0  1.0
  Ir  Ir16  1  0.67  0.12  0.62  1.0
  Ir  Ir17  1  0.0  0.24  0.0  1.0

data_Fe4Ir5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Ir5
_chemical_formula_sum   'Fe8 Ir10'
_cell_volume   244.35
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.31  0.44  0.23  1.0
  Fe  Fe2  1  0.31  0.45  0.0  1.0
  Fe  Fe3  1  0.31  0.77  0.12  1.0
  Fe  Fe4  1  0.62  0.0  0.0  1.0
  Fe  Fe5  1  0.93  0.23  0.12  1.0
  Fe  Fe6  1  0.93  0.56  0.23  1.0
  Fe  Fe7  1  0.93  0.89  0.0  1.0
  Ir  Ir8  1  0.0  0.0  0.24  1.0
  Ir  Ir9  1  0.0  0.67  0.12  1.0
  Ir  Ir10  1  0.31  0.2  0.08  1.0
  Ir  Ir11  1  0.31  0.53  0.27  1.0
  Ir  Ir12  1  0.31  0.94  0.0  1.0
  Ir  Ir13  1  0.62  0.0  0.24  1.0
  Ir  Ir14  1  0.62  0.67  0.12  1.0
  Ir  Ir15  1  0.93  0.4  0.0  1.0
  Ir  Ir16  1  0.93  0.47  0.27  1.0
  Ir  Ir17  1  0.93  0.8  0.08  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir