data_GdV2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdV2Ni
_chemical_formula_sum   'Gd1 V2 Ni1'
_cell_volume   61.7
_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  Gd0  1  0.14  0.14  0.14  1.0
  V  V2  1  0.57  0.57  0.57  1.0
  V  V3  1  0.7  0.7  0.7  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_GdV2Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GdV2Ni
_chemical_formula_sum   'Gd3 V6 Ni3'
_cell_volume   185.09
_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  0.86  1.0
  V  V1  3  0.0  0.0  0.3  1.0
  V  V2  3  0.0  0.0  0.43  1.0
  Ni  Ni3  3  0.0  0.0  0.0  1.0

Gd V V Ni
GdV2Ni crystallizes in the trigonal R3m space group. Gd(1) is bonded in a single-bond geometry to three equivalent V(1) and one Ni(1) atom. All Gd(1)-V(1) bond lengths are 2.78 Å. The Gd(1)-Ni(1) bond length is 1.48 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to three equivalent Gd(1), one V(2), and three equivalent Ni(1) atoms. The V(1)-V(2) bond length is 1.48 Å. All V(1)-Ni(1) bond lengths are 2.78 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one V(1) atom. Ni(1) is bonded in a single-bond geometry to one Gd(1) and three equivalent V(1) atoms.