data_FeIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   150.63
_cell_angle_beta   129.44
_cell_angle_gamma   59.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr2Au
_chemical_formula_sum   'Fe1 Ir2 Au1'
_cell_volume   60.26
_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  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.32  0.58  1.0
  Ir  Ir3  1  0.38  0.0  0.13  1.0
  Au  Au0  1  0.0  0.0  0.72  1.0

data_FeIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.64
_cell_length_c   5.43
_cell_angle_alpha   115.28
_cell_angle_beta   104.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr2Au
_chemical_formula_sum   'Fe1 Ir2 Au1'
_cell_volume   60.26
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.13  0.75  1.0
  Ir  Ir2  1  0.68  0.26  0.26  1.0
  Au  Au3  1  0.0  0.72  0.72  1.0

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