data_Ti3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ni5
_chemical_formula_sum   'Ti6 Ni10'
_cell_volume   214.34
_cell_formula_units_Z   2
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  Ti10  1  0.6  0.42  0.57  1.0
  Ti  Ti11  1  0.79  0.83  0.19  1.0
  Ti  Ti12  1  0.79  0.0  0.57  1.0
  Ti  Ti13  1  0.4  0.42  0.19  1.0
  Ti  Ti14  1  0.42  0.0  0.19  1.0
  Ti  Ti15  1  0.21  0.83  0.57  1.0
  Ni  Ni0  1  0.19  0.41  0.19  1.0
  Ni  Ni1  1  0.21  0.84  0.57  1.0
  Ni  Ni2  1  0.63  0.0  0.19  1.0
  Ni  Ni3  1  0.81  0.41  0.57  1.0
  Ni  Ni4  1  0.0  0.17  0.0  1.0
  Ni  Ni5  1  0.0  0.17  0.38  1.0
  Ni  Ni6  1  0.61  0.08  0.0  1.0
  Ni  Ni7  1  0.61  0.08  0.38  1.0
  Ni  Ni8  1  0.59  0.0  0.57  1.0
  Ni  Ni9  1  0.79  0.84  0.19  1.0

data_Ti3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ni5
_chemical_formula_sum   'Ti6 Ni10'
_cell_volume   214.34
_cell_formula_units_Z   2
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  0.19  0.4  0.42  1.0
  Ti  Ti1  1  0.19  0.42  0.0  1.0
  Ti  Ti2  1  0.19  0.79  0.83  1.0
  Ti  Ti3  1  0.57  0.21  0.83  1.0
  Ti  Ti4  1  0.57  0.6  0.42  1.0
  Ti  Ti5  1  0.57  0.79  0.0  1.0
  Ni  Ni6  1  -0.0  0.0  0.17  1.0
  Ni  Ni7  1  -0.0  0.61  0.08  1.0
  Ni  Ni8  1  0.19  0.19  0.41  1.0
  Ni  Ni9  1  0.19  0.63  0.0  1.0
  Ni  Ni10  1  0.19  0.79  0.84  1.0
  Ni  Ni11  1  0.38  0.0  0.17  1.0
  Ni  Ni12  1  0.38  0.61  0.08  1.0
  Ni  Ni13  1  0.57  0.21  0.84  1.0
  Ni  Ni14  1  0.57  0.59  0.0  1.0
  Ni  Ni15  1  0.57  0.81  0.41  1.0

Ti Ti Ti Ti Ti Ti Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni