data_Hf2AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.01
_cell_angle_alpha   111.83
_cell_angle_beta   111.83
_cell_angle_gamma   33.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlPb
_chemical_formula_sum   'Hf2 Al1 Pb1'
_cell_volume   86.08
_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  Hf1  1  0.97  0.0  0.17  1.0
  Hf  Hf2  1  0.86  0.0  0.94  1.0
  Al  Al0  1  0.45  0.0  0.3  1.0
  Pb  Pb3  1  0.57  0.0  0.52  1.0

data_Hf2AlPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.01
_cell_length_c   5.8
_cell_angle_alpha   111.83
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlPb
_chemical_formula_sum   'Hf2 Al1 Pb1'
_cell_volume   86.08
_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  0.17  0.97  1.0
  Hf  Hf1  1  0.0  0.94  0.86  1.0
  Al  Al2  1  0.0  0.3  0.45  1.0
  Pb  Pb3  1  0.0  0.52  0.57  1.0

Hf Hf Al Pb