data_HfSnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   145.5
_cell_angle_beta   138.43
_cell_angle_gamma   55.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnPb
_chemical_formula_sum   'Hf1 Sn1 Pb1'
_cell_volume   73.56
_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  0.09  1.0
  Sn  Sn2  1  0.0  0.0  0.73  1.0
  Pb  Pb1  1  0.0  0.0  0.5  1.0

data_HfSnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.13
_cell_length_c   5.82
_cell_angle_alpha   110.78
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnPb
_chemical_formula_sum   'Hf1 Sn1 Pb1'
_cell_volume   73.56
_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  0.09  0.09  1.0
  Sn  Sn1  1  0.0  0.73  0.73  1.0
  Pb  Pb2  1  0.0  0.5  0.5  1.0

Hf Sn Pb
Hf Sn Pb 0 1 o o - 0 2 o o o 1 2 o o o 