data_ReNiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiRu2
_chemical_formula_sum   'Re1 Ni1 Ru2'
_cell_volume   55.38
_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
  Re  Re1  1  0.52  0.0  0.2  1.0
  Ni  Ni0  1  0.0  0.0  0.23  1.0
  Ru  Ru2  1  0.0  0.0  0.01  1.0
  Ru  Ru3  1  0.52  0.0  0.3  1.0

data_ReNiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiRu2
_chemical_formula_sum   'Re1 Ni1 Ru2'
_cell_volume   55.38
_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
  Re  Re0  1  0.52  0.0  0.2  1.0
  Ni  Ni1  1  0.0  0.0  0.23  1.0
  Ru  Ru2  1  0.0  0.0  0.01  1.0
  Ru  Ru3  1  0.52  0.0  0.3  1.0

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