data_HfTiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   5.08
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiPb2
_chemical_formula_sum   'Hf1 Ti1 Pb2'
_cell_volume   93.04
_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  0.02  0.54  0.43  1.0
  Ti  Ti3  1  0.74  0.0  0.6  1.0
  Pb  Pb1  1  0.85  0.0  0.25  1.0
  Pb  Pb2  1  0.03  0.54  0.8  1.0

data_HfTiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.08
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiPb2
_chemical_formula_sum   'Hf1 Ti1 Pb2'
_cell_volume   93.04
_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  0.02  0.54  0.43  1.0
  Ti  Ti1  1  0.74  0.0  0.6  1.0
  Pb  Pb2  1  0.03  0.54  0.8  1.0
  Pb  Pb3  1  0.85  0.0  0.25  1.0

Hf Ti Pb Pb