data_LaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRu2
_chemical_formula_sum   'La4 Ru8'
_cell_volume   270.76
_cell_formula_units_Z   4
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  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.23  0.23  1.0
  La  La2  1  0.23  0.0  0.23  1.0
  La  La3  1  0.23  0.23  0.0  1.0
  Ru  Ru4  1  0.7  0.93  0.77  1.0
  Ru  Ru5  1  0.7  0.77  0.54  1.0
  Ru  Ru6  1  0.54  0.7  0.77  1.0
  Ru  Ru7  1  0.54  0.54  0.54  1.0
  Ru  Ru8  1  0.93  0.93  0.93  1.0
  Ru  Ru9  1  0.93  0.77  0.7  1.0
  Ru  Ru10  1  0.77  0.7  0.93  1.0
  Ru  Ru11  1  0.77  0.54  0.7  1.0

data_LaRu2
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.15
_cell_length_b   9.15
_cell_length_c   11.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   LaRu2
_chemical_formula_sum   'La12 Ru24'
_cell_volume   812.27
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.08  0.16  0.16  1.0
  La  La1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  9  0.03  0.13  0.67  1.0
  Ru  Ru3  9  0.13  0.1  0.8  1.0
  Ru  Ru4  3  0.0  0.0  0.54  1.0
  Ru  Ru5  3  0.0  0.0  0.93  1.0

La La La La Ru Ru Ru Ru Ru Ru Ru Ru
LaRu2 crystallizes in the trigonal R3 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to three equivalent La(2) and one Ru(4) atom. All La(1)-La(2) bond lengths are 2.15 Å. The La(1)-Ru(4) bond length is 0.76 Å. In the second La site, La(2) is bonded in a 7-coordinate geometry to one La(1), two equivalent La(2), one Ru(1), one Ru(3), and two equivalent Ru(2) atoms. Both La(2)-La(2) bond lengths are 2.15 Å. The La(2)-Ru(1) bond length is 3.87 Å. The La(2)-Ru(3) bond length is 4.08 Å. There is one shorter (3.87 Å) and one longer (4.08 Å) La(2)-Ru(2) bond length. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted hexagonal planar geometry to one La(2), one Ru(4), two equivalent Ru(1), and two equivalent Ru(2) atoms. The Ru(1)-Ru(4) bond length is 1.84 Å. Both Ru(1)-Ru(1) bond lengths are 1.90 Å. Both Ru(1)-Ru(2) bond lengths are 1.84 Å. In the second Ru site, Ru(2) is bonded in a 7-coordinate geometry to two equivalent La(2), one Ru(3), two equivalent Ru(1), and two equivalent Ru(2) atoms. The Ru(2)-Ru(3) bond length is 1.84 Å. Both Ru(2)-Ru(2) bond lengths are 1.90 Å. In the third Ru site, Ru(3) is bonded in a 3-coordinate geometry to three equivalent La(2) and three equivalent Ru(2) atoms. In the fourth Ru site, Ru(4) is bonded in a single-bond geometry to one La(1) and three equivalent Ru(1) atoms.