data_SiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65
_cell_length_b   9.65
_cell_length_c   9.65
_cell_angle_alpha   162.46
_cell_angle_beta   162.46
_cell_angle_gamma   24.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRu2
_chemical_formula_sum   'Si2 Ru4'
_cell_volume   81.68
_cell_formula_units_Z   2
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
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.0  0.47  0.71  1.0
  Ru  Ru0  1  0.0  0.0  0.74  1.0
  Ru  Ru1  1  0.47  0.0  0.4  1.0
  Ru  Ru2  1  0.0  0.0  0.11  1.0
  Ru  Ru3  1  0.47  0.0  0.03  1.0

data_SiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.65
_cell_angle_alpha   98.77
_cell_angle_beta   98.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRu2
_chemical_formula_sum   'Si2 Ru4'
_cell_volume   81.68
_cell_formula_units_Z   2
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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.24  0.71  0.24  1.0
  Ru  Ru2  1  0.03  0.56  0.56  1.0
  Ru  Ru3  1  0.11  0.11  0.11  1.0
  Ru  Ru4  1  0.4  0.93  0.93  1.0
  Ru  Ru5  1  0.74  0.74  0.74  1.0

Si Si Ru Ru Ru Ru
Si Si Ru Ru Ru Ru 0 4 o o o 0 2 o o - 0 3 o o o 1 4 o + + 1 4 o o o 2 5 - o o 2 5 o o + 2 3 - o o 2 3 o o + 