[CIF]
data_BaTi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26722031
_cell_length_b   3.26722031
_cell_length_c   8.20053005
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTi2Ni
_chemical_formula_sum   'Ba1 Ti2 Ni1'
_cell_volume   87.53843228
_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  0.00000000  0.00000000  4.10026502  1
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti2  1  1.63361016  1.63361016  1.22285099  1
  Ti  Ti3  1  1.63361016  1.63361016  6.97767906  1
[/CIF]
