data_HgRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRhAu2
_chemical_formula_sum   'Hg1 Rh1 Au2'
_cell_volume   72.19
_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  0.48  0.0  0.77  1.0
  Rh  Rh3  1  0.0  0.0  0.42  1.0
  Au  Au0  1  0.48  0.0  0.09  1.0
  Au  Au1  1  0.0  0.0  0.38  1.0

data_HgRhAu2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   2.9
_cell_length_b   5.1
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   HgRhAu2
_chemical_formula_sum   'Hg2 Rh2 Au4'
_cell_volume   144.44
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.77  1.0
  Rh  Rh1  2  0.0  0.5  0.42  1.0
  Au  Au2  2  0.0  0.0  0.09  1.0
  Au  Au3  2  0.0  0.5  0.38  1.0

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