data_Fe5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Ir3
_chemical_formula_sum   'Fe10 Ir6'
_cell_volume   204.79
_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  0.22  0.0  1.0
  Fe  Fe1  1  0.65  0.11  0.22  1.0
  Fe  Fe2  1  0.65  0.11  0.0  1.0
  Fe  Fe3  1  0.0  0.22  0.22  1.0
  Fe  Fe4  1  0.37  0.0  0.11  1.0
  Fe  Fe5  1  0.94  0.0  0.33  1.0
  Fe  Fe6  1  0.32  0.18  0.11  1.0
  Fe  Fe7  1  0.97  0.14  0.11  1.0
  Fe  Fe8  1  0.68  0.18  0.33  1.0
  Fe  Fe9  1  0.03  0.14  0.33  1.0
  Ir  Ir10  1  0.4  0.0  0.11  1.0
  Ir  Ir11  1  0.9  0.0  0.33  1.0
  Ir  Ir12  1  0.8  0.81  0.11  1.0
  Ir  Ir13  1  0.45  0.51  0.11  1.0
  Ir  Ir14  1  0.2  0.81  0.33  1.0
  Ir  Ir15  1  0.55  0.51  0.33  1.0

data_Fe5Ir3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Ir3
_chemical_formula_sum   'Fe10 Ir6'
_cell_volume   204.79
_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  0.22  1.0
  Fe  Fe1  1  -0.0  0.65  0.11  1.0
  Fe  Fe2  1  0.11  0.32  0.18  1.0
  Fe  Fe3  1  0.11  0.37  0.0  1.0
  Fe  Fe4  1  0.11  0.97  0.14  1.0
  Fe  Fe5  1  0.22  0.0  0.22  1.0
  Fe  Fe6  1  0.22  0.65  0.11  1.0
  Fe  Fe7  1  0.33  0.03  0.14  1.0
  Fe  Fe8  1  0.33  0.68  0.18  1.0
  Fe  Fe9  1  0.33  0.94  0.0  1.0
  Ir  Ir10  1  0.11  0.4  0.0  1.0
  Ir  Ir11  1  0.11  0.45  0.51  1.0
  Ir  Ir12  1  0.11  0.8  0.81  1.0
  Ir  Ir13  1  0.33  0.2  0.81  1.0
  Ir  Ir14  1  0.33  0.55  0.51  1.0
  Ir  Ir15  1  0.33  0.9  0.0  1.0

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