data_KLaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaRu2
_chemical_formula_sum   'K1 La1 Ru2'
_cell_volume   84.75
_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
  K  K0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.23  0.23  0.23  1.0
  Ru  Ru2  1  0.49  0.49  0.49  1.0
  Ru  Ru3  1  0.74  0.74  0.74  1.0

data_KLaRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KLaRu2
_chemical_formula_sum   'K3 La3 Ru6'
_cell_volume   254.24
_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
  K  K0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.77  1.0
  Ru  Ru2  3  0.0  0.0  0.26  1.0
  Ru  Ru3  3  0.0  0.0  0.51  1.0

K La Ru Ru
K La Ru Ru 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 2 - - o 0 2 - o - 0 2 - o o 0 2 o - - 0 2 o - o 0 2 o o - 0 3 - - - 0 3 - - o 0 3 - o - 0 3 o - - 1 3 - - o 1 3 - o - 1 3 - o o 1 3 o - - 1 3 o - o 1 3 o o - 1 2 - o o 1 2 o - o 1 2 o o - 1 2 o o o 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
KLaRu2 crystallizes in the trigonal R3m space group. K(1) is bonded in a 14-coordinate geometry to four equivalent La(1), four equivalent Ru(2), and six equivalent Ru(1) atoms. There is one shorter (2.77 Å) and three longer (3.11 Å) K(1)-La(1) bond lengths. There are three shorter (2.99 Å) and one longer (3.10 Å) K(1)-Ru(2) bond length. There are three shorter (3.39 Å) and three longer (3.58 Å) K(1)-Ru(1) bond lengths. La(1) is bonded in a 14-coordinate geometry to four equivalent K(1), four equivalent Ru(1), and six equivalent Ru(2) atoms. There are three shorter (2.99 Å) and one longer (3.10 Å) La(1)-Ru(1) bond length. There are three shorter (3.39 Å) and three longer (3.58 Å) La(1)-Ru(2) bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent K(1) and four equivalent La(1) atoms to form distorted RuK6La4 tetrahedra that share corners with six equivalent Ru(1)K6La4 tetrahedra, edges with twelve equivalent Ru(2)K4La6 tetrahedra, faces with four equivalent Ru(2)K4La6 tetrahedra, and faces with twelve equivalent Ru(1)K6La4 tetrahedra. In the second Ru site, Ru(2) is bonded to four equivalent K(1) and six equivalent La(1) atoms to form distorted RuK4La6 tetrahedra that share corners with six equivalent Ru(2)K4La6 tetrahedra, edges with twelve equivalent Ru(1)K6La4 tetrahedra, faces with four equivalent Ru(1)K6La4 tetrahedra, and faces with twelve equivalent Ru(2)K4La6 tetrahedra.