data_Sr2HfPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   5.15
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfPb
_chemical_formula_sum   'Sr2 Hf1 Pb1'
_cell_volume   129.33
_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  0.83  0.58  0.12  1.0
  Sr  Sr3  1  0.83  0.58  0.72  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.42  1.0

data_Sr2HfPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.15
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfPb
_chemical_formula_sum   'Sr2 Hf1 Pb1'
_cell_volume   129.33
_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  0.83  0.58  0.12  1.0
  Sr  Sr1  1  0.83  0.58  0.72  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.42  1.0

Sr Sr Hf Pb
Sr Sr Hf Pb 0 2 + + o 0 1 o o - 0 3 + + o 1 3 + + o 1 2 + + + 2 3 o o o 