data_Si3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.33
_cell_angle_alpha   95.07
_cell_angle_beta   95.07
_cell_angle_gamma   39.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Ru
_chemical_formula_sum   'Si3 Ru1'
_cell_volume   53.63
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.69  0.0  0.21  1.0
  Si  Si3  1  0.25  0.0  0.1  1.0
  Ru  Ru0  1  0.97  0.0  0.15  1.0

data_Si3Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.33
_cell_length_c   4.43
_cell_angle_alpha   95.07
_cell_angle_beta   109.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Ru
_chemical_formula_sum   'Si3 Ru1'
_cell_volume   53.63
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.1  0.25  1.0
  Si  Si2  1  0.0  0.21  0.69  1.0
  Ru  Ru3  1  0.0  0.15  0.97  1.0

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