data_FeIrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIrRu
_chemical_formula_sum   'Fe1 Ir1 Ru1'
_cell_volume   40.93
_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  0.03  1.0
  Ir  Ir1  1  0.13  0.23  0.64  1.0
  Ru  Ru2  1  0.0  0.45  0.95  1.0

data_FeIrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.25
_cell_length_c   4.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIrRu
_chemical_formula_sum   'Fe1 Ir1 Ru1'
_cell_volume   40.93
_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  0.03  0.0  0.0  1.0
  Ir  Ir1  1  0.64  0.13  0.23  1.0
  Ru  Ru2  1  0.95  -0.0  0.45  1.0

Fe Ir Ru
Fe Ir Ru 0 1 o o - 1 2 o o o 