data_Fe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Ru
_chemical_formula_sum   'Fe4 Ru2'
_cell_volume   88.76
_cell_formula_units_Z   2
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  0.51  0.51  0.0  1.0
  Fe  Fe1  1  0.33  0.33  0.0  1.0
  Fe  Fe2  1  0.44  0.41  0.3  1.0
  Fe  Fe3  1  0.41  0.44  0.3  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.92  0.92  0.3  1.0

data_Fe2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2Ru
_chemical_formula_sum   'Fe8 Ru4'
_cell_volume   177.52
_cell_formula_units_Z   4
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  4  0.42  0.01  0.3  1.0
  Fe  Fe1  2  0.01  0.5  0.0  1.0
  Fe  Fe2  2  0.33  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0
  Ru  Ru4  2  0.42  0.5  0.3  1.0

Fe Fe Fe Fe Ru Ru