data_Y3Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   6.94
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Ti
_chemical_formula_sum   'Y6 Ti2'
_cell_volume   227.32
_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
  Y  Y2  1  0.71  0.0  0.91  1.0
  Y  Y3  1  0.0  0.75  0.02  1.0
  Y  Y4  1  0.71  0.72  0.03  1.0
  Y  Y5  1  0.0  0.47  0.13  1.0
  Y  Y6  1  0.0  0.2  0.02  1.0
  Y  Y7  1  0.71  0.22  0.03  1.0
  Ti  Ti0  1  0.0  0.0  0.97  1.0
  Ti  Ti1  1  0.71  0.47  0.07  1.0

data_Y3Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.42
_cell_length_b   6.04
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Ti
_chemical_formula_sum   'Y6 Ti2'
_cell_volume   227.32
_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
  Y  Y0  1  0.0  0.87  0.53  1.0
  Y  Y1  1  0.0  0.98  0.25  1.0
  Y  Y2  1  0.0  0.98  0.8  1.0
  Y  Y3  1  0.29  0.09  0.0  1.0
  Y  Y4  1  0.29  0.97  0.28  1.0
  Y  Y5  1  0.29  0.97  0.78  1.0
  Ti  Ti6  1  0.0  0.03  0.0  1.0
  Ti  Ti7  1  0.29  0.93  0.53  1.0

Y Y Y Y Y Y Ti Ti