data_Hf2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.34
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   98.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2HgPb
_chemical_formula_sum   'Hf2 Hg1 Pb1'
_cell_volume   92.82
_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  0.28  0.0  0.03  1.0
  Hf  Hf1  1  0.59  0.17  0.62  1.0
  Hg  Hg2  1  0.74  0.0  0.0  1.0
  Pb  Pb3  1  0.74  0.17  0.81  1.0

data_Hf2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.34
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   98.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2HgPb
_chemical_formula_sum   'Hf2 Hg1 Pb1'
_cell_volume   92.82
_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  0.28  0.0  0.03  1.0
  Hf  Hf1  1  0.59  0.17  0.62  1.0
  Hg  Hg2  1  0.74  0.0  0.0  1.0
  Pb  Pb3  1  0.74  0.17  0.81  1.0

Hf Hf Hg Pb
Hf Hf Hg Pb 0 2 - o o 0 2 o o o 1 3 o o o 2 3 o o - 