data_FeNiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.24
_cell_length_c   2.56
_cell_angle_alpha   82.04
_cell_angle_beta   74.7
_cell_angle_gamma   23.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiRu
_chemical_formula_sum   'Fe1 Ni1 Ru1'
_cell_volume   37.44
_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  0.49  0.08  0.06  1.0
  Ni  Ni1  1  0.49  0.08  0.02  1.0
  Ru  Ru2  1  0.49  0.08  0.04  1.0

data_FeNiRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.97
_cell_length_b   12.12
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   125.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeNiRu
_chemical_formula_sum   'Fe2 Ni2 Ru2'
_cell_volume   74.87
_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
  Fe  Fe0  2  0.08  0.0  0.46  1.0
  Ni  Ni1  2  0.08  0.0  0.5  1.0
  Ru  Ru2  2  0.08  0.0  0.47  1.0

Fe Ni Ru
Fe Ni Ru 0 2 o o o 1 2 o o o 