data_Ba2InNi
_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   Ba2InNi
_chemical_formula_sum   'Ba2 In1 Ni1'
_cell_volume   99.71
_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  0.52  0.52  0.52  1.0
  Ba  Ba1  1  0.68  0.68  0.68  1.0
  In  In2  1  0.84  0.84  0.84  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Ba2InNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ba2InNi
_chemical_formula_sum   'Ba6 In3 Ni3'
_cell_volume   299.12
_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  0.32  1.0
  Ba  Ba1  3  0.0  0.0  0.48  1.0
  In  In2  3  0.0  0.0  0.16  1.0
  Ni  Ni3  3  0.0  0.0  1.0  1.0

Ba Ba In Ni
Ba2NiIn crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one Ba(2) and three equivalent In(1) atoms to form distorted BaBaIn3 trigonal pyramids that share  a cornercorner with one In(1)Ba4Ni trigonal bipyramid, corners with six equivalent Ba(1)BaIn3 trigonal pyramids, and edges with three equivalent Ni(1)Ba3In trigonal pyramids. The Ba(1)-Ba(2) bond length is 2.04 Å. All Ba(1)-In(1) bond lengths are 3.01 Å. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Ba(1), three equivalent Ni(1), and one In(1) atom. All Ba(2)-Ni(1) bond lengths are 3.01 Å. The Ba(2)-In(1) bond length is 2.04 Å. Ni(1) is bonded to three equivalent Ba(2) and one In(1) atom to form distorted NiBa3In trigonal pyramids that share corners with three equivalent In(1)Ba4Ni trigonal bipyramids, corners with six equivalent Ni(1)Ba3In trigonal pyramids, and edges with three equivalent Ba(1)BaIn3 trigonal pyramids. The Ni(1)-In(1) bond length is 2.04 Å. In(1) is bonded to one Ba(2), three equivalent Ba(1), and one Ni(1) atom to form distorted InBa4Ni trigonal bipyramids that share corners with six equivalent In(1)Ba4Ni trigonal bipyramids,  a cornercorner with one Ba(1)BaIn3 trigonal pyramid, and corners with three equivalent Ni(1)Ba3In trigonal pyramids.