data_GdDyNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdDyNb2
_chemical_formula_sum   'Gd1 Dy1 Nb2'
_cell_volume   93.07
_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
  Gd  Gd1  1  0.0  0.0  0.0  1.0
  Dy  Dy0  1  0.6  0.6  0.6  1.0
  Nb  Nb2  1  0.4  0.4  0.4  1.0
  Nb  Nb3  1  0.8  0.8  0.8  1.0

data_GdDyNb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GdDyNb2
_chemical_formula_sum   'Gd3 Dy3 Nb6'
_cell_volume   279.21
_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
  Gd  Gd0  3  0.0  0.0  0.0  1.0
  Dy  Dy1  3  0.0  0.0  0.4  1.0
  Nb  Nb2  3  0.0  0.0  0.2  1.0
  Nb  Nb3  3  0.0  0.0  0.6  1.0

Gd Dy Nb Nb
Gd Dy Nb Nb 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o o 1 2 o + o 1 2 + o o 1 2 o o + 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
DyGdNb2 crystallizes in the trigonal R3m space group. Dy(1) is bonded in a linear geometry to three equivalent Gd(1), one Nb(1), and one Nb(2) atom. All Dy(1)-Gd(1) bond lengths are 3.06 Å. The Dy(1)-Nb(1) bond length is 2.51 Å. The Dy(1)-Nb(2) bond length is 2.51 Å. Gd(1) is bonded in a 10-coordinate geometry to three equivalent Dy(1), three equivalent Nb(1), and four equivalent Nb(2) atoms. All Gd(1)-Nb(1) bond lengths are 3.04 Å. There is one shorter (2.51 Å) and three longer (3.36 Å) Gd(1)-Nb(2) bond lengths. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to one Dy(1) and three equivalent Gd(1) atoms. In the second Nb site, Nb(2) is bonded in a linear geometry to one Dy(1) and four equivalent Gd(1) atoms.