data_HfZr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   144.89
_cell_angle_beta   129.53
_cell_angle_gamma   62.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Pb
_chemical_formula_sum   'Hf1 Zr2 Pb1'
_cell_volume   104.51
_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  0.0  0.0  1.0
  Zr  Zr2  1  0.87  0.0  0.64  1.0
  Zr  Zr3  1  0.0  0.64  0.64  1.0
  Pb  Pb1  1  0.0  0.0  0.29  1.0

data_HfZr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.29
_cell_length_c   6.2
_cell_angle_alpha   115.24
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Pb
_chemical_formula_sum   'Hf1 Zr2 Pb1'
_cell_volume   104.51
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.23  0.36  0.23  1.0
  Zr  Zr2  1  0.36  1.0  1.0  1.0
  Pb  Pb3  1  0.71  0.71  0.71  1.0

Hf Zr Zr Pb