data_Li2TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.21
_cell_angle_alpha   98.02
_cell_angle_beta   98.02
_cell_angle_gamma   34.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiNi
_chemical_formula_sum   'Li2 Ti1 Ni1'
_cell_volume   58.34
_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
  Li  Li0  1  0.73  0.0  0.97  1.0
  Li  Li1  1  0.42  0.0  0.93  1.0
  Ti  Ti3  1  0.27  0.0  0.57  1.0
  Ni  Ni2  1  0.96  0.0  0.41  1.0

data_Li2TiNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.46
_cell_length_c   5.21
_cell_angle_alpha   98.02
_cell_angle_beta   90.0
_cell_angle_gamma   107.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiNi
_chemical_formula_sum   'Li2 Ti1 Ni1'
_cell_volume   58.34
_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
  Li  Li0  1  0.0  0.27  0.03  1.0
  Li  Li1  1  0.0  0.58  0.07  1.0
  Ti  Ti2  1  0.0  0.73  0.43  1.0
  Ni  Ni3  1  0.0  0.04  0.59  1.0

Li Li Ti Ni