data_LaBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBRu2
_chemical_formula_sum   'La1 B1 Ru2'
_cell_volume   62.8
_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  La1  1  0.15  0.15  0.15  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.58  0.58  0.58  1.0
  Ru  Ru3  1  0.73  0.73  0.73  1.0

data_LaBRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaBRu2
_chemical_formula_sum   'La3 B3 Ru6'
_cell_volume   188.39
_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  0.85  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.27  1.0
  Ru  Ru3  3  0.0  0.0  0.42  1.0

La B Ru Ru
LaRu2B crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted single-bond geometry to three equivalent Ru(1), three equivalent Ru(2), and one B(1) atom. All La(1)-Ru(1) bond lengths are 2.75 Å. All La(1)-Ru(2) bond lengths are 2.75 Å. The La(1)-B(1) bond length is 1.69 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent La(1) and one Ru(2) atom to form distorted corner-sharing RuLa3Ru tetrahedra. The Ru(1)-Ru(2) bond length is 1.69 Å. In the second Ru site, Ru(2) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Ru(1) atom. B(1) is bonded in a single-bond geometry to one La(1) atom.