data_FeIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.82
_cell_angle_alpha   99.82
_cell_angle_beta   99.82
_cell_angle_gamma   34.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr2Au
_chemical_formula_sum   'Fe1 Ir2 Au1'
_cell_volume   59.91
_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  Fe1  1  0.55  0.0  0.18  1.0
  Ir  Ir2  1  0.16  0.0  0.66  1.0
  Ir  Ir3  1  0.66  0.0  0.71  1.0
  Au  Au0  1  0.11  0.0  0.29  1.0

data_FeIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.75
_cell_length_c   4.82
_cell_angle_alpha   99.82
_cell_angle_beta   90.0
_cell_angle_gamma   107.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr2Au
_chemical_formula_sum   'Fe1 Ir2 Au1'
_cell_volume   59.91
_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  0.0  0.45  0.82  1.0
  Ir  Ir1  1  0.0  0.34  0.29  1.0
  Ir  Ir2  1  0.0  0.84  0.34  1.0
  Au  Au3  1  0.0  0.89  0.71  1.0

Fe Ir Ir Au
Fe Ir Ir Au 0 1 o o - 0 3 o o o 0 3 + o o 0 0 + - o 0 2 o o - 0 2 o o o 1 3 o o o 1 2 o o o 1 2 - o o 2 2 + - o 