data_Y3GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3GaNi
_chemical_formula_sum   'Y3 Ga1 Ni1'
_cell_volume   137.78
_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
  Y  Y0  1  0.0  0.58  0.0  1.0
  Y  Y1  1  0.0  0.0  0.58  1.0
  Y  Y2  1  0.58  0.0  0.0  1.0
  Ga  Ga4  1  0.58  0.58  0.58  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Y3GaNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y3GaNi
_chemical_formula_sum   'Y9 Ga3 Ni3'
_cell_volume   413.35
_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
  Y  Y0  9  0.05  0.53  0.53  1.0
  Ga  Ga1  3  0.0  0.0  0.58  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0

Y Y Y Ga Ni
Y3NiGa crystallizes in the trigonal R3m space group. Y(1) is bonded in a distorted single-bond geometry to two equivalent Ni(1) and three equivalent Ga(1) atoms. There is one shorter (2.16 Å) and one longer (3.01 Å) Y(1)-Ni(1) bond length. There is one shorter (3.05 Å) and two longer (3.70 Å) Y(1)-Ga(1) bond lengths. Ni(1) is bonded to six equivalent Y(1) atoms to form distorted corner-sharing NiY6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded in a 9-coordinate geometry to nine equivalent Y(1) atoms.