data_Ti2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   135.5
_cell_angle_beta   135.5
_cell_angle_gamma   64.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CuNi
_chemical_formula_sum   'Ti2 Cu1 Ni1'
_cell_volume   55.52
_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  0.84  0.05  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.84  0.0  0.05  1.0
  Ni  Ni1  1  0.0  0.0  0.1  1.0

data_Ti2CuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   4.86
_cell_angle_alpha   112.25
_cell_angle_beta   112.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CuNi
_chemical_formula_sum   'Ti2 Cu1 Ni1'
_cell_volume   55.52
_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  Ti0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.79  0.84  0.79  1.0
  Cu  Cu2  1  0.95  0.0  0.79  1.0
  Ni  Ni3  1  0.9  0.0  0.9  1.0

Ti Ti Cu Ni