data_YHf2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   134.53
_cell_angle_beta   134.53
_cell_angle_gamma   66.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Pb
_chemical_formula_sum   'Y1 Hf2 Pb1'
_cell_volume   98.34
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.25  0.0  0.43  1.0
  Hf  Hf1  1  0.0  0.0  0.87  1.0
  Pb  Pb2  1  0.0  0.25  0.43  1.0

data_YHf2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.81
_cell_angle_alpha   112.74
_cell_angle_beta   112.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Pb
_chemical_formula_sum   'Y1 Hf2 Pb1'
_cell_volume   98.34
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.13  0.0  0.13  1.0
  Hf  Hf2  1  0.57  0.0  0.81  1.0
  Pb  Pb3  1  0.81  0.25  0.81  1.0

Y Hf Hf Pb