data_ReSiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   147.2
_cell_angle_beta   129.44
_cell_angle_gamma   61.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiRu2
_chemical_formula_sum   'Re1 Si1 Ru2'
_cell_volume   55.19
_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  0.18  0.99  1.0
  Si  Si3  1  0.0  0.0  0.35  1.0
  Ru  Ru1  1  0.0  0.0  0.75  1.0
  Ru  Ru2  1  0.44  0.0  0.46  1.0

data_ReSiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.36
_cell_length_c   5.11
_cell_angle_alpha   115.28
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiRu2
_chemical_formula_sum   'Re1 Si1 Ru2'
_cell_volume   55.19
_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  0.01  0.19  0.19  1.0
  Si  Si1  1  0.65  0.65  0.65  1.0
  Ru  Ru2  1  0.25  0.25  0.25  1.0
  Ru  Ru3  1  0.98  0.54  0.98  1.0

Re Si Ru Ru
Re Si Ru Ru 0 2 o o o 0 3 - o o 1 3 o o o 1 2 o o o 2 3 - o o 