data_HfBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   136.99
_cell_angle_beta   136.99
_cell_angle_gamma   62.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi2Pb
_chemical_formula_sum   'Hf1 Bi2 Pb1'
_cell_volume   112.14
_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  Hf2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.34  1.0
  Bi  Bi1  1  0.0  0.29  0.67  1.0
  Pb  Pb3  1  0.29  0.0  0.67  1.0

data_HfBi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.25
_cell_angle_alpha   111.5
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi2Pb
_chemical_formula_sum   'Hf1 Bi2 Pb1'
_cell_volume   112.14
_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
  Bi  Bi1  1  0.34  0.34  0.34  1.0
  Bi  Bi2  1  0.38  0.67  0.38  1.0
  Pb  Pb3  1  0.67  0.38  0.38  1.0

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