data_Sr2HfSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfSi
_chemical_formula_sum   'Sr2 Hf1 Si1'
_cell_volume   112.73
_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  0.58  0.6  0.72  1.0
  Sr  Sr3  1  0.58  0.4  0.72  1.0
  Hf  Hf0  1  0.16  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Sr2HfSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   117.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfSi
_chemical_formula_sum   'Sr2 Hf1 Si1'
_cell_volume   112.73
_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  0.72  0.58  0.4  1.0
  Sr  Sr1  1  0.72  0.58  0.6  1.0
  Hf  Hf2  1  0.0  0.16  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Sr Sr Hf Si