data_SrAlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlRu2
_chemical_formula_sum   'Sr1 Al1 Ru2'
_cell_volume   70.78
_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
  Sr  Sr3  1  0.0  0.0  0.24  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.71  0.0  0.78  1.0
  Ru  Ru2  1  0.71  0.0  0.7  1.0

data_SrAlRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlRu2
_chemical_formula_sum   'Sr1 Al1 Ru2'
_cell_volume   70.78
_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
  Sr  Sr0  1  0.0  0.0  0.24  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.71  0.0  0.7  1.0
  Ru  Ru3  1  0.71  0.0  0.78  1.0

Sr Al Ru Ru
Sr Al Ru Ru 0 1 o o o 1 2 - o - 2 3 o o o 