data_LaRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRu5
_chemical_formula_sum   'La1 Ru5'
_cell_volume   102.48
_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
  La  La0  1  0.86  0.86  0.86  1.0
  Ru  Ru1  1  0.78  0.78  0.65  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.65  0.78  0.78  1.0
  Ru  Ru4  1  0.65  0.65  0.65  1.0
  Ru  Ru5  1  0.78  0.65  0.78  1.0

data_LaRu5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaRu5
_chemical_formula_sum   'La3 Ru15'
_cell_volume   307.43
_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
  La  La0  3  0.0  0.0  0.14  1.0
  Ru  Ru1  9  0.08  0.04  0.26  1.0
  Ru  Ru2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.35  1.0

La Ru Ru Ru Ru Ru
LaRu5 crystallizes in the trigonal R3m space group. La(1) is bonded in a 4-coordinate geometry to one Ru(2), three equivalent Ru(1), and three equivalent Ru(3) atoms. The La(1)-Ru(2) bond length is 1.84 Å. All La(1)-Ru(1) bond lengths are 1.61 Å. All La(1)-Ru(3) bond lengths are 3.44 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 4-coordinate geometry to one La(1), one Ru(3), and two equivalent Ru(1) atoms. The Ru(1)-Ru(3) bond length is 1.15 Å. Both Ru(1)-Ru(1) bond lengths are 0.67 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one La(1) atom. In the third Ru site, Ru(3) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent Ru(1) atoms.