data_Sr2HfIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   9.01
_cell_angle_alpha   102.62
_cell_angle_beta   102.62
_cell_angle_gamma   53.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfIr
_chemical_formula_sum   'Sr2 Hf1 Ir1'
_cell_volume   146.7
_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  0.29  0.0  0.84  1.0
  Sr  Sr3  1  0.4  0.0  0.76  1.0
  Hf  Hf0  1  0.83  0.0  0.35  1.0
  Ir  Ir1  1  0.4  0.0  0.16  1.0

data_Sr2HfIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.57
_cell_length_c   9.01
_cell_angle_alpha   102.62
_cell_angle_beta   90.0
_cell_angle_gamma   116.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfIr
_chemical_formula_sum   'Sr2 Hf1 Ir1'
_cell_volume   146.7
_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  0.6  0.24  1.0
  Sr  Sr1  1  0.0  0.71  0.16  1.0
  Hf  Hf2  1  0.0  0.17  0.65  1.0
  Ir  Ir3  1  0.0  0.6  0.84  1.0

Sr Sr Hf Ir