data_HfHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   148.36
_cell_angle_beta   132.06
_cell_angle_gamma   58.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHg2Pb
_chemical_formula_sum   'Hf1 Hg2 Pb1'
_cell_volume   98.15
_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  0.63  1.0
  Hg  Hg1  1  0.73  0.0  0.19  1.0
  Hg  Hg2  1  0.0  0.0  0.43  1.0
  Pb  Pb3  1  0.73  0.0  0.32  1.0

data_HfHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.15
_cell_length_c   6.33
_cell_angle_alpha   113.97
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHg2Pb
_chemical_formula_sum   'Hf1 Hg2 Pb1'
_cell_volume   98.15
_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  0.63  0.63  1.0
  Hg  Hg1  1  0.0  0.19  0.46  1.0
  Hg  Hg2  1  0.0  0.43  0.43  1.0
  Pb  Pb3  1  0.0  0.32  0.59  1.0

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