data_Fe2ReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   4.23
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReRu
_chemical_formula_sum   'Fe2 Re1 Ru1'
_cell_volume   53.8
_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  0.78  0.12  0.22  1.0
  Fe  Fe1  1  0.07  0.12  0.61  1.0
  Re  Re2  1  0.92  0.0  0.42  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Fe2ReRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.23
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReRu
_chemical_formula_sum   'Fe2 Re1 Ru1'
_cell_volume   53.8
_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  0.07  0.12  0.61  1.0
  Fe  Fe1  1  0.78  0.12  0.22  1.0
  Re  Re2  1  0.92  0.0  0.42  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Fe Fe Re Ru
Fe Fe Re Ru 0 2 o o o 0 3 + o o 1 2 - o o 