data_Li2SnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.53
_cell_length_b   9.53
_cell_length_c   9.53
_cell_angle_alpha   17.76
_cell_angle_beta   17.76
_cell_angle_gamma   17.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnRu
_chemical_formula_sum   'Li2 Sn1 Ru1'
_cell_volume   70.33
_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
  Li  Li0  1  0.0  0.0  0.24  1.0
  Li  Li1  1  0.0  0.0  0.9  1.0
  Sn  Sn3  1  0.0  0.0  0.07  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Li2SnRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   2.94
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   100.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2SnRu
_chemical_formula_sum   'Li4 Sn2 Ru2'
_cell_volume   140.66
_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
  Li  Li0  2  0.0  0.0  0.1  1.0
  Li  Li1  2  0.0  0.0  0.76  1.0
  Sn  Sn2  2  0.0  0.0  0.93  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Li Li Sn Ru
Li Li Sn Ru 0 2 o o o 1 3 o o + 2 3 o o o 