data_Hg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Ru
_chemical_formula_sum   'Hg8 Ru4'
_cell_volume   243.94
_cell_formula_units_Z   4
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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.54  1.0
  Hg  Hg2  1  0.0  0.66  0.8  1.0
  Hg  Hg3  1  0.65  1.0  0.8  1.0
  Hg  Hg4  1  0.44  0.83  0.27  1.0
  Hg  Hg5  1  0.35  1.0  0.8  1.0
  Hg  Hg6  1  0.13  0.83  0.27  1.0
  Hg  Hg7  1  0.79  0.17  0.27  1.0
  Ru  Ru8  1  0.0  0.22  0.43  1.0
  Ru  Ru9  1  0.0  0.22  0.11  1.0
  Ru  Ru10  1  0.79  0.61  0.96  1.0
  Ru  Ru11  1  0.79  0.61  0.64  1.0

data_Hg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Ru
_chemical_formula_sum   'Hg8 Ru4'
_cell_volume   243.94
_cell_formula_units_Z   4
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  0.66  0.8  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.54  1.0
  Hg  Hg3  1  0.13  0.83  0.27  1.0
  Hg  Hg4  1  0.35  1.0  0.8  1.0
  Hg  Hg5  1  0.44  0.83  0.27  1.0
  Hg  Hg6  1  0.65  1.0  0.8  1.0
  Hg  Hg7  1  0.79  0.17  0.27  1.0
  Ru  Ru8  1  -0.0  0.22  0.11  1.0
  Ru  Ru9  1  -0.0  0.22  0.43  1.0
  Ru  Ru10  1  0.79  0.61  0.64  1.0
  Ru  Ru11  1  0.79  0.61  0.96  1.0

Hg Hg Hg Hg Hg Hg Hg Hg Ru Ru Ru Ru