data_Fe8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   95.85
_cell_angle_beta   95.85
_cell_angle_gamma   142.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe8Ir
_chemical_formula_sum   'Fe8 Ir1'
_cell_volume   102.2
_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
  Fe  Fe0  1  0.28  0.72  0.8  1.0
  Fe  Fe1  1  0.72  0.28  0.8  1.0
  Fe  Fe2  1  0.0  0.99  0.0  1.0
  Fe  Fe3  1  0.49  0.49  0.0  1.0
  Fe  Fe4  1  0.99  0.0  0.0  1.0
  Fe  Fe5  1  0.28  0.28  0.8  1.0
  Fe  Fe6  1  0.0  0.56  0.0  1.0
  Fe  Fe7  1  0.56  0.0  0.0  1.0
  Ir  Ir8  1  0.0  0.0  0.0  1.0

data_Fe8Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.59
_cell_length_b   10.67
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   108.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe8Ir
_chemical_formula_sum   'Fe16 Ir2'
_cell_volume   204.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.01  0.01  0.0  1.0
  Fe  Fe1  4  0.22  0.22  0.0  1.0
  Fe  Fe2  4  0.3  0.22  0.8  1.0
  Fe  Fe3  2  0.01  0.5  0.0  1.0
  Fe  Fe4  2  0.01  0.5  0.8  1.0
  Ir  Ir5  2  0.0  0.0  0.0  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Ir