data_HgIrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   150.89
_cell_angle_beta   130.69
_cell_angle_gamma   58.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIrAu2
_chemical_formula_sum   'Hg1 Ir1 Au2'
_cell_volume   72.87
_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  0.1  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.44  0.73  1.0
  Au  Au1  1  0.47  0.0  0.37  1.0

data_HgIrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.87
_cell_length_c   5.84
_cell_angle_alpha   114.66
_cell_angle_beta   104.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIrAu2
_chemical_formula_sum   'Hg1 Ir1 Au2'
_cell_volume   72.87
_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  0.9  0.9  0.9  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.1  0.63  0.1  1.0
  Au  Au3  1  0.27  0.71  0.71  1.0

Hg Ir Au Au