data_HgRu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRu2Rh
_chemical_formula_sum   'Hg1 Ru2 Rh1'
_cell_volume   62.46
_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  0.72  0.0  0.0  1.0
  Ru  Ru2  1  0.36  0.06  0.39  1.0
  Ru  Ru3  1  0.36  0.94  0.39  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_HgRu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   113.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRu2Rh
_chemical_formula_sum   'Hg1 Ru2 Rh1'
_cell_volume   62.46
_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  0.72  0.0  1.0
  Ru  Ru1  1  0.39  0.36  0.06  1.0
  Ru  Ru2  1  0.39  0.36  0.94  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Hg Ru Ru Rh
Hg Ru Ru Rh 0 3 + o o 1 2 o - o 