data_SiHgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   147.53
_cell_angle_beta   147.53
_cell_angle_gamma   46.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHgRu
_chemical_formula_sum   'Si1 Hg1 Ru1'
_cell_volume   49.69
_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  Si2  1  0.0  0.0  0.19  1.0
  Hg  Hg0  1  0.0  0.0  0.23  1.0
  Ru  Ru1  1  0.0  0.0  0.05  1.0

data_SiHgRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   113.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiHgRu
_chemical_formula_sum   'Si2 Hg2 Ru2'
_cell_volume   99.38
_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
  Si  Si0  2  0.19  0.0  0.19  1.0
  Hg  Hg1  2  0.23  0.0  0.23  1.0
  Ru  Ru2  2  0.05  0.0  0.05  1.0

Si Hg Ru
Si Hg Ru 0 1 o o o 0 2 o o o 