data_La(As3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(As3Ru)4
_chemical_formula_sum   'La1 As12 Ru4'
_cell_volume   317.45
_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  La12  1  0.0  0.0  0.0  1.0
  As  As0  1  0.3  0.0  0.01  1.0
  As  As1  1  0.3  0.0  0.59  1.0
  As  As2  1  0.71  0.0  0.3  1.0
  As  As3  1  0.0  0.01  0.3  1.0
  As  As4  1  0.3  0.71  0.0  1.0
  As  As5  1  0.29  0.0  0.3  1.0
  As  As6  1  0.01  0.3  0.0  1.0
  As  As7  1  0.0  0.59  0.3  1.0
  As  As8  1  0.3  0.29  0.0  1.0
  As  As9  1  0.59  0.3  0.0  1.0
  As  As10  1  0.0  0.3  0.71  1.0
  As  As11  1  0.0  0.3  0.29  1.0
  Ru  Ru13  1  0.85  0.15  0.15  1.0
  Ru  Ru14  1  0.15  0.85  0.15  1.0
  Ru  Ru15  1  0.15  0.15  0.85  1.0
  Ru  Ru16  1  0.15  0.15  0.15  1.0

data_La(As3Ru)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   12.15
_cell_length_b   12.15
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   La(As3Ru)4
_chemical_formula_sum   'La3 As36 Ru12'
_cell_volume   952.36
_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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  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'
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  0.0  1.0
  As  As1  9  0.0  0.71  0.3  1.0
  As  As2  9  0.04  0.37  0.67  1.0
  As  As3  9  0.09  0.9  0.2  1.0
  As  As4  9  0.2  0.09  0.1  1.0
  Ru  Ru5  9  0.1  0.2  0.05  1.0
  Ru  Ru6  3  0.0  0.0  0.15  1.0

La As As As As As As As As As As As As Ru Ru Ru Ru
La As As As As As As As As As As As As Ru Ru Ru Ru 0 16 o o o 0 1 o o o 0 4 o o o 0 7 o o o 1 14 o - o 1 9 o o o 1 15 o o - 1 16 o o o 1 6 o o o 1 5 o - o 1 10 o o o 2 14 o - o 2 8 o - o 2 6 o o o 2 4 o o o 2 15 o o o 2 10 o o + 3 12 + o o 3 4 + o o 3 13 o o o 4 12 o o o 4 13 - o o 4 6 o o o 4 14 o - o 4 16 o o o 5 6 o + o 5 14 o o o 6 14 o - o 7 13 - o o 7 11 o o - 7 12 o o o 7 9 o o o 7 15 o o - 7 16 o o o 7 8 o o o 8 10 - o o 8 12 o o o 8 13 - o o 8 14 o o o 9 15 o o - 9 10 o o o 9 11 o o - 10 15 o o - 10 13 o o o 11 15 o o o 12 13 - o o 
LaRu4As12 crystallizes in the trigonal R3 space group. La(1) is bonded in a single-bond geometry to one Ru(2) and three equivalent As(1) atoms. The La(1)-Ru(2) bond length is 1.11 Å. All La(1)-As(1) bond lengths are 2.20 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to one As(2), one As(3), one As(4), and two equivalent As(1) atoms. The Ru(1)-As(2) bond length is 2.67 Å. The Ru(1)-As(3) bond length is 2.09 Å. The Ru(1)-As(4) bond length is 1.09 Å. There is one shorter (2.07 Å) and one longer (2.15 Å) Ru(1)-As(1) bond length. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one La(1) and three equivalent As(1) atoms. All Ru(2)-As(1) bond lengths are 2.09 Å. There are four inequivalent As sites. In the first As site, As(1) is bonded to one La(1), one Ru(2), two equivalent Ru(1), one As(2), one As(3), and two equivalent As(4) atoms to form distorted face-sharing AsLaAs4Ru3 hexagonal bipyramids. The As(1)-As(2) bond length is 2.56 Å. The As(1)-As(3) bond length is 2.15 Å. Both As(1)-As(4) bond lengths are 2.18 Å. In the second As site, As(2) is bonded in a 5-coordinate geometry to one Ru(1), one As(1), one As(4), and two equivalent As(2) atoms. The As(2)-As(4) bond length is 2.15 Å. Both As(2)-As(2) bond lengths are 2.62 Å. In the third As site, As(3) is bonded in a 4-coordinate geometry to one Ru(1), one As(1), and two equivalent As(3) atoms. Both As(3)-As(3) bond lengths are 2.62 Å. In the fourth As site, As(4) is bonded in a single-bond geometry to one Ru(1), one As(2), and two equivalent As(1) atoms.