data_YTi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Ni
_chemical_formula_sum   'Y1 Ti2 Ni1'
_cell_volume   74.07
_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
  Y  Y3  1  0.6  0.0  0.0  1.0
  Ti  Ti1  1  0.3  0.41  0.48  1.0
  Ti  Ti2  1  0.3  0.59  0.48  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_YTi2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.2
_cell_length_c   5.48
_cell_angle_alpha   118.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Ni
_chemical_formula_sum   'Y1 Ti2 Ni1'
_cell_volume   74.07
_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
  Y  Y0  1  0.0  0.0  0.6  1.0
  Ti  Ti1  1  0.48  0.41  0.71  1.0
  Ti  Ti2  1  0.48  0.59  0.89  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Y Ti Ti Ni