data_Si2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Ru
_chemical_formula_sum   'Si6 Ru3'
_cell_volume   121.21
_cell_formula_units_Z   3
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  Si3  1  0.96  0.0  0.47  1.0
  Si  Si4  1  0.02  0.7  0.47  1.0
  Si  Si5  1  0.47  0.27  0.47  1.0
  Si  Si6  1  0.3  0.0  0.0  1.0
  Si  Si7  1  0.85  0.73  0.0  1.0
  Si  Si8  1  0.3  0.25  0.0  1.0
  Ru  Ru0  1  0.0  0.98  0.47  1.0
  Ru  Ru1  1  0.45  0.99  0.47  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Si2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Ru
_chemical_formula_sum   'Si6 Ru3'
_cell_volume   121.21
_cell_formula_units_Z   3
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  0.3  0.25  1.0
  Si  Si1  1  -0.0  0.85  0.73  1.0
  Si  Si2  1  0.0  0.3  0.0  1.0
  Si  Si3  1  0.47  0.02  0.7  1.0
  Si  Si4  1  0.47  0.47  0.27  1.0
  Si  Si5  1  0.47  0.96  0.0  1.0
  Ru  Ru6  1  0.0  0.0  0.0  1.0
  Ru  Ru7  1  0.47  0.0  0.98  1.0
  Ru  Ru8  1  0.47  0.45  0.99  1.0

Si Si Si Si Si Si Ru Ru Ru