data_Sr2AlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   8.44
_cell_angle_alpha   103.45
_cell_angle_beta   103.45
_cell_angle_gamma   59.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlRu
_chemical_formula_sum   'Sr2 Al1 Ru1'
_cell_volume   131.53
_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  Sr2  1  0.09  0.0  0.92  1.0
  Sr  Sr3  1  0.11  0.0  0.18  1.0
  Al  Al0  1  0.59  0.0  0.05  1.0
  Ru  Ru1  1  0.09  0.0  0.06  1.0

data_Sr2AlRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.33
_cell_length_c   8.44
_cell_angle_alpha   103.45
_cell_angle_beta   90.0
_cell_angle_gamma   119.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlRu
_chemical_formula_sum   'Sr2 Al1 Ru1'
_cell_volume   131.53
_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  0.89  0.82  1.0
  Sr  Sr1  1  0.0  0.91  0.08  1.0
  Al  Al2  1  0.0  0.41  0.95  1.0
  Ru  Ru3  1  0.0  0.91  0.94  1.0

Sr Sr Al Ru