data_SrHfPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   126.89
_cell_angle_beta   126.89
_cell_angle_gamma   78.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfPb2
_chemical_formula_sum   'Sr1 Hf1 Pb2'
_cell_volume   113.99
_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  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.0  0.41  1.0
  Pb  Pb1  1  0.0  0.54  0.2  1.0
  Pb  Pb2  1  0.54  0.0  0.2  1.0

data_SrHfPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   129.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrHfPb2
_chemical_formula_sum   'Sr2 Hf2 Pb4'
_cell_volume   227.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.41  1.0
  Pb  Pb2  4  0.23  0.23  0.66  1.0

Sr Hf Pb Pb