data_SnGeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeRu
_chemical_formula_sum   'Sn1 Ge1 Ru1'
_cell_volume   55.8
_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  Sn2  1  0.62  0.93  0.96  1.0
  Ge  Ge0  1  0.0  0.0  0.26  1.0
  Ru  Ru1  1  0.0  0.87  0.94  1.0

data_SnGeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeRu
_chemical_formula_sum   'Sn1 Ge1 Ru1'
_cell_volume   55.8
_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  0.62  0.93  0.96  1.0
  Ge  Ge1  1  0.0  0.0  0.26  1.0
  Ru  Ru2  1  -0.0  0.87  0.94  1.0

Sn Ge Ru
Sn Ge Ru 0 2 + o o 0 1 + + + 1 2 o - - 