[CIF]
data_Sc2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87795418
_cell_length_b   4.87795418
_cell_length_c   6.26462388
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ti
_chemical_formula_sum   'Sc4 Ti2'
_cell_volume   129.09251612
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1
  Sc  Sc1  1  0.00000000  2.81628816  1.56615597  1
  Sc  Sc2  1  0.00000000  0.00000000  3.13231194  1
  Sc  Sc3  1  2.43897709  1.40814408  4.69846791  1
  Ti  Ti4  1  2.43897709  1.40814408  1.56615597  1
  Ti  Ti5  1  0.00000000  2.81628816  4.69846791  1
[/CIF]
