data_YScTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.2
_cell_length_c   3.26
_cell_angle_alpha   77.11
_cell_angle_beta   76.72
_cell_angle_gamma   26.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScTi
_chemical_formula_sum   'Y1 Sc1 Ti1'
_cell_volume   72.65
_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  Y2  1  0.29  0.32  0.39  1.0
  Sc  Sc0  1  0.29  0.32  0.25  1.0
  Ti  Ti1  1  0.29  0.32  0.01  1.0

data_YScTi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.26
_cell_length_b   13.65
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   YScTi
_chemical_formula_sum   'Y2 Sc2 Ti2'
_cell_volume   145.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.72  1.0
  Sc  Sc1  2  0.0  0.5  0.57  1.0
  Ti  Ti2  2  0.0  0.5  0.34  1.0

Y Sc Ti
Y Sc Ti 0 1 o o o 1 2 o o o 