data_KDy2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KDy2Ru
_chemical_formula_sum   'K1 Dy2 Ru1'
_cell_volume   99.32
_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  K2  1  0.0  0.0  0.0  1.0
  Dy  Dy0  1  0.84  0.84  0.84  1.0
  Dy  Dy1  1  0.51  0.51  0.51  1.0
  Ru  Ru3  1  0.68  0.68  0.68  1.0

data_KDy2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KDy2Ru
_chemical_formula_sum   'K3 Dy6 Ru3'
_cell_volume   297.96
_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
  Dy  Dy1  3  0.0  0.0  0.16  1.0
  Dy  Dy2  3  0.0  0.0  0.49  1.0
  Ru  Ru3  3  0.0  0.0  0.32  1.0

K Dy Dy Ru
KDy2Ru crystallizes in the trigonal R3m space group. K(1) is bonded to one Dy(1) and three equivalent Ru(1) atoms to form distorted KDyRu3 trigonal pyramids that share  a cornercorner with one Ru(1)K3Dy2 trigonal bipyramid and corners with six equivalent K(1)DyRu3 trigonal pyramids. The K(1)-Dy(1) bond length is 2.06 Å. All K(1)-Ru(1) bond lengths are 3.00 Å. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted linear geometry to one K(1) and one Ru(1) atom. The Dy(1)-Ru(1) bond length is 2.06 Å. In the second Dy site, Dy(2) is bonded in a single-bond geometry to one Ru(1) atom. The Dy(2)-Ru(1) bond length is 2.06 Å. Ru(1) is bonded to three equivalent K(1), one Dy(1), and one Dy(2) atom to form distorted RuK3Dy2 trigonal bipyramids that share corners with six equivalent Ru(1)K3Dy2 trigonal bipyramids and  a cornercorner with one K(1)DyRu3 trigonal pyramid.