data_Sr2HfRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   8.69
_cell_angle_alpha   102.43
_cell_angle_beta   102.43
_cell_angle_gamma   58.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfRu
_chemical_formula_sum   'Sr2 Hf1 Ru1'
_cell_volume   138.82
_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  0.15  0.0  0.76  1.0
  Sr  Sr3  1  0.21  0.0  0.57  1.0
  Hf  Hf0  1  0.68  0.0  0.16  1.0
  Ru  Ru1  1  0.21  0.0  0.16  1.0

data_Sr2HfRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.39
_cell_length_c   8.69
_cell_angle_alpha   102.43
_cell_angle_beta   90.0
_cell_angle_gamma   119.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfRu
_chemical_formula_sum   'Sr2 Hf1 Ru1'
_cell_volume   138.82
_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  0.79  0.43  1.0
  Sr  Sr1  1  0.0  0.85  0.24  1.0
  Hf  Hf2  1  0.0  0.32  0.84  1.0
  Ru  Ru3  1  0.0  0.79  0.84  1.0

Sr Sr Hf Ru