data_BaTiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiNi2
_chemical_formula_sum   'Ba1 Ti1 Ni2'
_cell_volume   77.4
_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  0.47  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.74  0.23  0.57  1.0
  Ni  Ni2  1  0.74  0.77  0.57  1.0

data_BaTiNi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaTiNi2
_chemical_formula_sum   'Ba1 Ti1 Ni2'
_cell_volume   77.41
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.47  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.57  0.23  0.74  1.0

Ba Ti Ni Ni
BaTiNi2 crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and four equivalent Ni(1) atoms. There is one shorter (2.35 Å) and one longer (2.61 Å) Ba(1)-Ti(1) bond length. There are two shorter (2.19 Å) and two longer (2.51 Å) Ba(1)-Ni(1) bond lengths. Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Ni(1) atoms. There are two shorter (2.19 Å) and two longer (2.51 Å) Ti(1)-Ni(1) bond lengths. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ti(1), and two equivalent Ni(1) atoms. There is one shorter (2.29 Å) and one longer (2.67 Å) Ni(1)-Ni(1) bond length.