data_HgPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   132.72
_cell_angle_beta   132.72
_cell_angle_gamma   69.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPbAu2
_chemical_formula_sum   'Hg1 Pb1 Au2'
_cell_volume   90.22
_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
  Hg  Hg2  1  0.0  0.0  0.57  1.0
  Pb  Pb3  1  0.0  0.22  0.28  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.22  0.0  0.28  1.0

data_HgPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.54
_cell_angle_alpha   113.64
_cell_angle_beta   113.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPbAu2
_chemical_formula_sum   'Hg1 Pb1 Au2'
_cell_volume   90.22
_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
  Hg  Hg0  1  0.57  0.57  0.57  1.0
  Pb  Pb1  1  0.06  0.28  0.06  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.28  0.06  0.06  1.0

Hg Pb Au Au