data_SiHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   141.86
_cell_angle_beta   134.43
_cell_angle_gamma   60.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Ru
_chemical_formula_sum   'Si1 Hg2 Ru1'
_cell_volume   75.71
_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
  Si  Si3  1  0.0  0.0  0.67  1.0
  Hg  Hg0  1  0.0  0.16  0.67  1.0
  Hg  Hg1  1  0.0  0.0  0.63  1.0
  Ru  Ru2  1  0.0  0.16  0.46  1.0

data_SiHg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.32
_cell_length_c   5.58
_cell_angle_alpha   112.79
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Ru
_chemical_formula_sum   'Si1 Hg2 Ru1'
_cell_volume   75.71
_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
  Si  Si0  1  0.33  0.33  0.33  1.0
  Hg  Hg1  1  0.33  0.49  0.49  1.0
  Hg  Hg2  1  0.37  0.37  0.37  1.0
  Ru  Ru3  1  0.54  0.7  0.7  1.0

Si Hg Hg Ru