data_Hf2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   144.78
_cell_angle_beta   117.84
_cell_angle_gamma   73.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PbSe
_chemical_formula_sum   'Hf2 Pb1 Se1'
_cell_volume   90.94
_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
  Hf  Hf0  1  0.71  0.0  0.96  1.0
  Hf  Hf1  1  0.0  0.92  0.57  1.0
  Pb  Pb2  1  0.0  0.0  0.54  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Hf2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   62.16
_cell_angle_beta   72.39
_cell_angle_gamma   72.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PbSe
_chemical_formula_sum   'Hf2 Pb1 Se1'
_cell_volume   90.94
_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
  Hf  Hf0  1  0.25  0.71  0.04  1.0
  Hf  Hf1  1  0.57  0.0  0.35  1.0
  Pb  Pb2  1  0.54  0.0  0.46  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hf Hf Pb Se
Hf Hf Pb Se 0 3 + o + 1 2 o + o 