data_SnHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   6.19
_cell_angle_alpha   118.92
_cell_angle_beta   118.92
_cell_angle_gamma   38.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Ru
_chemical_formula_sum   'Sn1 Hg2 Ru1'
_cell_volume   87.22
_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
  Sn  Sn3  1  0.98  0.0  0.28  1.0
  Hg  Hg0  1  0.02  0.0  0.06  1.0
  Hg  Hg1  1  0.04  0.0  0.21  1.0
  Ru  Ru2  1  0.77  0.0  0.42  1.0

data_SnHg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.14
_cell_length_c   5.83
_cell_angle_alpha   68.39
_cell_angle_beta   73.14
_cell_angle_gamma   70.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Ru
_chemical_formula_sum   'Sn1 Hg2 Ru1'
_cell_volume   87.22
_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
  Sn  Sn0  1  0.0  0.69  0.28  1.0
  Hg  Hg1  1  0.0  0.84  0.21  1.0
  Hg  Hg2  1  0.0  0.95  0.06  1.0
  Ru  Ru3  1  0.0  0.35  0.42  1.0

Sn Hg Hg Ru