data_TiNbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   150.16
_cell_angle_beta   150.16
_cell_angle_gamma   42.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbNi
_chemical_formula_sum   'Ti1 Nb1 Ni1'
_cell_volume   46.32
_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
  Ti  Ti2  1  0.0  0.0  0.29  1.0
  Nb  Nb0  1  0.0  0.0  0.58  1.0
  Ni  Ni1  1  0.0  0.0  0.46  1.0

data_TiNbNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   111.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiNbNi
_chemical_formula_sum   'Ti2 Nb2 Ni2'
_cell_volume   92.65
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ti  Ti0  2  0.29  0.0  0.29  1.0
  Nb  Nb1  2  0.08  0.5  0.58  1.0
  Ni  Ni2  2  0.46  0.0  0.46  1.0

Ti Nb Ni