data_FeNi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.51
_cell_angle_alpha   98.52
_cell_angle_beta   98.52
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Ru
_chemical_formula_sum   'Fe1 Ni2 Ru1'
_cell_volume   47.8
_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  0.6  0.0  0.4  1.0
  Ni  Ni1  1  0.75  0.0  0.45  1.0
  Ni  Ni2  1  0.16  0.0  0.1  1.0
  Ru  Ru3  1  0.87  0.0  0.2  1.0

data_FeNi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   4.41
_cell_length_c   4.51
_cell_angle_alpha   98.52
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Ru
_chemical_formula_sum   'Fe1 Ni2 Ru1'
_cell_volume   47.8
_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  0.4  0.6  1.0
  Ni  Ni1  1  0.0  0.25  0.55  1.0
  Ni  Ni2  1  0.0  0.84  0.9  1.0
  Ru  Ru3  1  0.0  0.13  0.8  1.0

Fe Ni Ni Ru