data_Hf2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiPb
_chemical_formula_sum   'Hf2 Bi1 Pb1'
_cell_volume   97.68
_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  0.14  0.0  0.38  1.0
  Hf  Hf2  1  0.14  0.0  0.11  1.0
  Bi  Bi0  1  0.0  0.0  0.24  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

data_Hf2BiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiPb
_chemical_formula_sum   'Hf2 Bi1 Pb1'
_cell_volume   97.68
_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  0.14  0.0  0.11  1.0
  Hf  Hf1  1  0.14  0.0  0.38  1.0
  Bi  Bi2  1  0.0  0.0  0.24  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

Hf Hf Bi Pb
Hf Hf Bi Pb 0 2 o o o 1 3 o o o 1 2 o o o 