data_AlSiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.91
_cell_angle_alpha   102.93
_cell_angle_beta   102.93
_cell_angle_gamma   39.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiRu2
_chemical_formula_sum   'Al1 Si1 Ru2'
_cell_volume   55.25
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.43  0.0  0.38  1.0
  Ru  Ru1  1  0.05  0.0  0.49  1.0
  Ru  Ru2  1  0.82  0.0  0.28  1.0

data_AlSiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.27
_cell_length_c   4.91
_cell_angle_alpha   102.93
_cell_angle_beta   90.0
_cell_angle_gamma   109.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiRu2
_chemical_formula_sum   'Al1 Si1 Ru2'
_cell_volume   55.25
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.57  0.62  1.0
  Ru  Ru2  1  0.0  0.18  0.72  1.0
  Ru  Ru3  1  0.0  0.95  0.51  1.0

Al Si Ru Ru