[CIF]
data_Ti3Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75566941
_cell_length_b   5.75566941
_cell_length_c   5.75566941
_cell_angle_alpha   90.22424946
_cell_angle_beta   90.22424946
_cell_angle_gamma   90.22424946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ni4
_chemical_formula_sum   'Ti6 Ni8'
_cell_volume   190.66787110
_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
  Ni  Ni0  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni1  1  0.00000000  2.41658727  4.64591772  1
  Ni  Ni2  1  -2.09282596  1.20829363  5.28409954  1
  Ni  Ni3  1  2.09282596  1.20829363  5.28409954  1
  Ni  Ni4  1  -0.00000000  -0.00000000  4.96500863  1
  Ni  Ni5  1  -2.09282596  -1.20829363  4.64591772  1
  Ni  Ni6  1  2.09282596  -1.20829363  4.64591772  1
  Ni  Ni7  1  0.00000000  -2.41658727  5.28409954  1
  Ti  Ti8  1  -1.63787133  0.94562545  2.99427222  1
  Ti  Ti9  1  1.63787133  0.94562545  2.99427222  1
  Ti  Ti10  1  0.00000000  1.89125090  6.93574505  1
  Ti  Ti11  1  0.00000000  -1.89125090  2.99427222  1
  Ti  Ti12  1  -1.63787133  -0.94562545  6.93574505  1
  Ti  Ti13  1  1.63787133  -0.94562545  6.93574505  1
[/CIF]
