data_Hg3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24
_cell_length_b   10.24
_cell_length_c   10.24
_cell_angle_alpha   17.26
_cell_angle_beta   17.26
_cell_angle_gamma   17.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Ru
_chemical_formula_sum   'Hg3 Ru1'
_cell_volume   82.5
_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  0.0  0.42  1.0
  Hg  Hg1  1  0.0  0.0  0.13  1.0
  Hg  Hg2  1  0.0  0.0  0.84  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Hg3Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   3.07
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg3Ru
_chemical_formula_sum   'Hg6 Ru2'
_cell_volume   165.0
_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+1/2, y+1/2, z'
  4  '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  0.16  1.0
  Hg  Hg1  2  0.0  0.0  0.58  1.0
  Hg  Hg2  2  0.0  0.0  0.87  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Hg Hg Hg Ru