data_Re2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   131.21
_cell_angle_beta   131.21
_cell_angle_gamma   71.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2NiRu
_chemical_formula_sum   'Re2 Ni1 Ru1'
_cell_volume   55.06
_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  0.0  0.91  0.88  1.0
  Re  Re2  1  0.0  0.0  0.76  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.91  0.0  0.88  1.0

data_Re2NiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.63
_cell_angle_alpha   114.39
_cell_angle_beta   114.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2NiRu
_chemical_formula_sum   'Re2 Ni1 Ru1'
_cell_volume   55.06
_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  0.03  0.91  0.03  1.0
  Re  Re1  1  0.24  0.0  0.24  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.12  0.0  0.03  1.0

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