data_HgPdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67
_cell_length_b   9.67
_cell_length_c   9.67
_cell_angle_alpha   17.81
_cell_angle_beta   17.81
_cell_angle_gamma   17.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPdAu2
_chemical_formula_sum   'Hg1 Pd1 Au2'
_cell_volume   73.94
_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  0.28  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.29  1.0
  Au  Au1  1  0.0  0.0  0.27  1.0

data_HgPdAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   2.99
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgPdAu2
_chemical_formula_sum   'Hg2 Pd2 Au4'
_cell_volume   147.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.72  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.71  1.0
  Au  Au3  2  0.0  0.0  0.73  1.0

Hg Pd Au Au