data_Hf2MgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.34
_cell_angle_alpha   103.42
_cell_angle_beta   103.42
_cell_angle_gamma   33.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgPb
_chemical_formula_sum   'Hf2 Mg1 Pb1'
_cell_volume   92.21
_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  0.66  0.0  0.91  1.0
  Hf  Hf1  1  0.88  0.0  0.27  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.77  0.0  0.59  1.0

data_Hf2MgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.34
_cell_length_c   5.66
_cell_angle_alpha   103.42
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgPb
_chemical_formula_sum   'Hf2 Mg1 Pb1'
_cell_volume   92.21
_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  0.27  0.88  1.0
  Hf  Hf1  1  0.0  0.91  0.66  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.59  0.77  1.0

Hf Hf Mg Pb