data_Hf2NiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.5
_cell_angle_alpha   108.31
_cell_angle_beta   108.31
_cell_angle_gamma   38.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiPb
_chemical_formula_sum   'Hf2 Ni1 Pb1'
_cell_volume   81.97
_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  0.2  0.0  0.09  1.0
  Hf  Hf1  1  0.54  0.0  0.09  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.87  0.0  0.59  1.0

data_Hf2NiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.06
_cell_length_c   5.5
_cell_angle_alpha   108.31
_cell_angle_beta   90.0
_cell_angle_gamma   109.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiPb
_chemical_formula_sum   'Hf2 Ni1 Pb1'
_cell_volume   81.97
_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  0.0  0.46  0.91  1.0
  Hf  Hf1  1  0.0  0.8  0.91  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.13  0.41  1.0

Hf Hf Ni Pb