data_BaYCdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYCdNi
_chemical_formula_sum   'Ba1 Y1 Cd1 Ni1'
_cell_volume   97.81
_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
  Ba  Ba0  1  0.49  0.49  0.49  1.0
  Y  Y3  1  0.66  0.66  0.66  1.0
  Cd  Cd1  1  0.83  0.83  0.83  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_BaYCdNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaYCdNi
_chemical_formula_sum   'Ba3 Y3 Cd3 Ni3'
_cell_volume   293.44
_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
  Ba  Ba0  3  0.0  0.0  0.51  1.0
  Y  Y1  3  0.0  0.0  0.34  1.0
  Cd  Cd2  3  0.0  0.0  0.17  1.0
  Ni  Ni3  3  0.0  0.0  0.0  1.0

Ba Y Cd Ni
BaYNiCd crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 4-coordinate geometry to one Y(1), three equivalent Ni(1), and three equivalent Cd(1) atoms. The Ba(1)-Y(1) bond length is 2.17 Å. All Ba(1)-Ni(1) bond lengths are 3.55 Å. All Ba(1)-Cd(1) bond lengths are 2.99 Å. Y(1) is bonded to one Ba(1), three equivalent Ni(1), and one Cd(1) atom to form distorted YBaCdNi3 trigonal bipyramids that share corners with six equivalent Y(1)BaCdNi3 trigonal bipyramids and edges with three equivalent Cd(1)Ba3YNi trigonal bipyramids. All Y(1)-Ni(1) bond lengths are 2.99 Å. The Y(1)-Cd(1) bond length is 2.17 Å. Ni(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1), three equivalent Y(1), and one Cd(1) atom. The Ni(1)-Cd(1) bond length is 2.17 Å. Cd(1) is bonded to three equivalent Ba(1), one Y(1), and one Ni(1) atom to form distorted CdBa3YNi trigonal bipyramids that share corners with six equivalent Cd(1)Ba3YNi trigonal bipyramids and edges with three equivalent Y(1)BaCdNi3 trigonal bipyramids.