data_SnHgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   151.07
_cell_angle_beta   134.35
_cell_angle_gamma   54.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHgRu2
_chemical_formula_sum   'Sn1 Hg1 Ru2'
_cell_volume   72.61
_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  0.0  0.0  0.96  1.0
  Hg  Hg0  1  0.0  0.31  0.69  1.0
  Ru  Ru1  1  0.0  0.0  0.38  1.0
  Ru  Ru2  1  0.49  0.0  0.53  1.0

data_SnHgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.62
_cell_length_c   5.95
_cell_angle_alpha   112.82
_cell_angle_beta   104.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHgRu2
_chemical_formula_sum   'Sn1 Hg1 Ru2'
_cell_volume   72.61
_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  0.04  0.04  0.04  1.0
  Hg  Hg1  1  0.31  0.62  0.62  1.0
  Ru  Ru2  1  0.62  0.62  0.62  1.0
  Ru  Ru3  1  0.95  0.47  0.95  1.0

Sn Hg Ru Ru
Sn Hg Ru Ru 0 3 - o o 0 3 o o + 0 1 o o + 0 1 o - o 0 2 o o + 1 2 o o o 1 3 o + + 1 3 o o o 2 3 o o o 