data_ScTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   143.61
_cell_angle_beta   109.87
_cell_angle_gamma   81.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2
_chemical_formula_sum   'Sc1 Ti2'
_cell_volume   55.3
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.46  0.0  0.38  1.0
  Ti  Ti2  1  0.0  0.68  0.15  1.0

data_ScTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   70.13
_cell_angle_beta   71.81
_cell_angle_gamma   71.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2
_chemical_formula_sum   'Sc1 Ti2'
_cell_volume   55.3
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.15  0.0  0.53  1.0
  Ti  Ti2  1  0.92  0.46  0.62  1.0

Sc Ti Ti