data_Fe2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.49
_cell_angle_alpha   100.33
_cell_angle_beta   100.33
_cell_angle_gamma   34.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiRu
_chemical_formula_sum   'Fe2 Ni1 Ru1'
_cell_volume   48.53
_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  0.17  0.0  0.38  1.0
  Fe  Fe1  1  0.12  0.0  0.15  1.0
  Ni  Ni2  1  0.81  0.0  0.14  1.0
  Ru  Ru3  1  0.47  0.0  0.34  1.0

data_Fe2NiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.42
_cell_length_c   4.49
_cell_angle_alpha   100.33
_cell_angle_beta   90.0
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiRu
_chemical_formula_sum   'Fe2 Ni1 Ru1'
_cell_volume   48.53
_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  0.83  0.62  1.0
  Fe  Fe1  1  0.0  0.88  0.85  1.0
  Ni  Ni2  1  0.0  0.19  0.86  1.0
  Ru  Ru3  1  0.0  0.53  0.66  1.0

Fe Fe Ni Ru
Fe Fe Ni Ru 0 1 o o o 0 3 o o o 1 2 - o o 1 3 o o o 