data_BaTaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaNi2
_chemical_formula_sum   'Ba1 Ta1 Ni2'
_cell_volume   75.4
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.52  0.52  0.0  1.0
  Ni  Ni1  1  0.0  0.52  0.49  1.0
  Ni  Ni2  1  0.52  0.0  0.49  1.0

data_BaTaNi2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.98
_cell_length_b   7.12
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   BaTaNi2
_chemical_formula_sum   'Ba2 Ta2 Ni4'
_cell_volume   150.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.52  1.0
  Ni  Ni2  4  0.5  0.24  0.76  1.0

Ba Ta Ni Ni
Ba Ta Ni Ni 0 1 - - o 0 3 - o - 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o - - 0 2 o - o 0 2 o o - 0 2 o o o 0 0 o o + 1 2 o o - 1 2 o o o 1 2 + o - 1 2 + o o 1 3 o o - 1 3 o o o 1 3 o + - 1 3 o + o 1 1 o o + 2 3 - + o 2 2 o o + 3 3 o o + 
BaTaNi2 is alpha iridium vanadium-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms. There are a spread of Ba(1)-Ni(1) bond distances ranging from 2.84-3.01 Å. Ta(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms. There are a spread of Ta(1)-Ni(1) bond distances ranging from 2.84-3.01 Å. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ta(1) atoms.