data_NiIrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   6.83
_cell_length_c   2.64
_cell_angle_alpha   84.22
_cell_angle_beta   73.94
_cell_angle_gamma   21.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiIrRu
_chemical_formula_sum   'Ni1 Ir1 Ru1'
_cell_volume   41.1
_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
  Ni  Ni1  1  0.35  0.27  0.95  1.0
  Ir  Ir0  1  0.35  0.27  0.04  1.0
  Ru  Ru2  1  0.35  0.27  0.41  1.0

data_NiIrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.7
_cell_length_b   13.4
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   120.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiIrRu
_chemical_formula_sum   'Ni2 Ir2 Ru2'
_cell_volume   82.2
_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
  Ni  Ni0  2  0.45  0.5  0.3  1.0
  Ir  Ir1  2  0.04  0.0  0.39  1.0
  Ru  Ru2  2  0.41  0.0  0.76  1.0

Ni Ir Ru