data_FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr
_chemical_formula_sum   'Fe4 Ir4'
_cell_volume   106.58
_cell_formula_units_Z   4
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  0.99  1.0
  Fe  Fe1  1  0.0  0.0  0.98  1.0
  Fe  Fe2  1  0.96  0.13  0.98  1.0
  Fe  Fe3  1  0.0  0.27  0.99  1.0
  Ir  Ir4  1  0.96  0.13  0.73  1.0
  Ir  Ir5  1  0.0  0.27  0.71  1.0
  Ir  Ir6  1  0.0  0.27  0.24  1.0
  Ir  Ir7  1  0.96  0.13  0.26  1.0

data_FeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr
_chemical_formula_sum   'Fe4 Ir4'
_cell_volume   106.58
_cell_formula_units_Z   4
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  0.98  1.0
  Fe  Fe1  1  0.0  0.0  0.99  1.0
  Fe  Fe2  1  0.0  0.27  0.99  1.0
  Fe  Fe3  1  0.96  0.13  0.98  1.0
  Ir  Ir4  1  0.0  0.27  0.24  1.0
  Ir  Ir5  1  0.0  0.27  0.71  1.0
  Ir  Ir6  1  0.96  0.13  0.26  1.0
  Ir  Ir7  1  0.96  0.13  0.73  1.0

Fe Fe Fe Fe Ir Ir Ir Ir