data_SmTa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTa2Ru
_chemical_formula_sum   'Sm1 Ta2 Ru1'
_cell_volume   73.93
_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
  Sm  Sm1  1  0.33  0.33  0.33  1.0
  Ta  Ta2  1  1.0  1.0  1.0  1.0
  Ta  Ta3  1  0.67  0.67  0.67  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_SmTa2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SmTa2Ru
_chemical_formula_sum   'Sm3 Ta6 Ru3'
_cell_volume   221.79
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sm  Sm0  3  0.0  0.0  0.67  1.0
  Ta  Ta1  3  0.0  0.0  0.0  1.0
  Ta  Ta2  3  0.0  0.0  0.33  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

SmTa2Ru crystallizes in the trigonal R3m space group. Sm(1) is bonded in a 11-coordinate geometry to three equivalent Ta(1), four equivalent Ta(2), and four equivalent Ru(1) atoms. All Sm(1)-Ta(1) bond lengths are 2.72 Å. There are three shorter (2.72 Å) and one longer (3.86 Å) Sm(1)-Ta(2) bond length. There are three shorter (2.72 Å) and one longer (3.82 Å) Sm(1)-Ru(1) bond length. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to three equivalent Sm(1), four equivalent Ta(2), and one Ru(1) atom. There are three shorter (2.72 Å) and one longer (3.82 Å) Ta(1)-Ta(2) bond length. The Ta(1)-Ru(1) bond length is 0.04 Å. In the second Ta site, Ta(2) is bonded in a 11-coordinate geometry to four equivalent Sm(1), four equivalent Ta(1), and three equivalent Ru(1) atoms. All Ta(2)-Ru(1) bond lengths are 2.72 Å. Ru(1) is bonded in a single-bond geometry to four equivalent Sm(1), one Ta(1), and three equivalent Ta(2) atoms.