data_HgRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   4.88
_cell_angle_alpha   101.11
_cell_angle_beta   101.11
_cell_angle_gamma   35.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRhAu2
_chemical_formula_sum   'Hg1 Rh1 Au2'
_cell_volume   71.93
_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  0.37  0.0  0.39  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.98  0.0  0.14  1.0
  Au  Au1  1  0.76  0.0  0.63  1.0

data_HgRhAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.88
_cell_length_c   5.1
_cell_angle_alpha   101.11
_cell_angle_beta   107.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRhAu2
_chemical_formula_sum   'Hg1 Rh1 Au2'
_cell_volume   71.93
_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  0.0  0.39  0.37  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.14  0.98  1.0
  Au  Au3  1  0.0  0.63  0.76  1.0

Hg Rh Au Au
Hg Rh Au Au 0 1 o o o 0 2 - o o 0 3 o o o 1 2 - o o 1 3 - o - 