data_ReAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   2.84
_cell_angle_alpha   101.29
_cell_angle_beta   101.29
_cell_angle_gamma   115.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAsRu2
_chemical_formula_sum   'Re1 As1 Ru2'
_cell_volume   59.7
_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  0.68  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.82  0.89  0.32  1.0
  Ru  Ru3  1  0.82  0.11  0.32  1.0

data_ReAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   115.19
_cell_angle_beta   101.29
_cell_angle_gamma   101.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAsRu2
_chemical_formula_sum   'Re1 As1 Ru2'
_cell_volume   59.7
_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  -0.0  0.68  0.0  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.32  0.82  0.89  1.0
  Ru  Ru3  1  0.32  0.82  0.11  1.0

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