data_Sr2HfSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   5.72
_cell_angle_alpha   113.42
_cell_angle_beta   113.42
_cell_angle_gamma   34.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfSb
_chemical_formula_sum   'Sr2 Hf1 Sb1'
_cell_volume   136.99
_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  0.35  0.0  0.25  1.0
  Sr  Sr3  1  0.35  0.0  0.8  1.0
  Hf  Hf0  1  0.74  0.0  0.41  1.0
  Sb  Sb1  1  0.51  0.0  0.34  1.0

data_Sr2HfSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   5.72
_cell_length_c   6.81
_cell_angle_alpha   113.42
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfSb
_chemical_formula_sum   'Sr2 Hf1 Sb1'
_cell_volume   136.99
_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  0.25  0.35  1.0
  Sr  Sr1  1  0.0  0.8  0.35  1.0
  Hf  Hf2  1  0.0  0.41  0.74  1.0
  Sb  Sb3  1  0.0  0.34  0.51  1.0

Sr Sr Hf Sb