data_AlSn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.27
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   97.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Ru
_chemical_formula_sum   'Al1 Sn2 Ru1'
_cell_volume   81.0
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.99  0.63  0.59  1.0
  Sn  Sn3  1  0.08  0.63  0.25  1.0
  Ru  Ru1  1  0.45  0.0  0.92  1.0

data_AlSn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.27
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   97.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Ru
_chemical_formula_sum   'Al1 Sn2 Ru1'
_cell_volume   81.0
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.08  0.63  0.25  1.0
  Sn  Sn2  1  0.99  0.63  0.59  1.0
  Ru  Ru3  1  0.45  0.0  0.92  1.0

Al Sn Sn Ru
RuAlSn2 crystallizes in the triclinic P1 space group. Ru(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Al(1) and three equivalent Sn(1) atoms. There is one shorter (1.65 Å) and one longer (1.76 Å) Ru(1)-Al(1) bond length. There are a spread of Ru(1)-Sn(1) bond distances ranging from 3.07-3.53 Å. Al(1) is bonded in a 4-coordinate geometry to two equivalent Ru(1) and two equivalent Sn(2) atoms. There is one shorter (2.31 Å) and one longer (2.86 Å) Al(1)-Sn(2) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to three equivalent Ru(1), one Sn(2), and four equivalent Sn(1) atoms. The Sn(1)-Sn(2) bond length is 2.71 Å. There are two shorter (3.16 Å) and two longer (3.27 Å) Sn(1)-Sn(1) bond lengths. In the second Sn site, Sn(2) is bonded in a 1-coordinate geometry to two equivalent Al(1) and one Sn(1) atom.