data_Hg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.76
_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   'Hg4 Ru2'
_cell_volume   113.48
_cell_formula_units_Z   2
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  0.88  1.0
  Hg  Hg2  1  0.0  0.75  0.32  1.0
  Hg  Hg3  1  0.38  0.38  0.44  1.0
  Ru  Ru4  1  0.0  0.75  0.44  1.0
  Ru  Ru5  1  0.38  0.38  0.32  1.0

data_Hg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.76
_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   'Hg4 Ru2'
_cell_volume   113.48
_cell_formula_units_Z   2
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  0.88  1.0
  Hg  Hg2  1  0.0  0.75  0.32  1.0
  Hg  Hg3  1  0.38  0.38  0.44  1.0
  Ru  Ru4  1  0.0  0.75  0.44  1.0
  Ru  Ru5  1  0.38  0.38  0.32  1.0

Hg Hg Hg Hg Ru Ru
Hg Hg Hg Hg Ru Ru 0 1 o o - 2 4 o o o 3 5 o o o 