data_YTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   152.35
_cell_angle_beta   152.35
_cell_angle_gamma   39.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi3
_chemical_formula_sum   'Y2 Ti6'
_cell_volume   161.82
_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  Y6  1  0.0  0.0  0.42  1.0
  Y  Y7  1  0.0  0.0  0.7  1.0
  Ti  Ti0  1  0.0  0.17  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.18  1.0
  Ti  Ti2  1  0.0  0.0  0.95  1.0
  Ti  Ti3  1  0.0  0.17  0.28  1.0
  Ti  Ti4  1  0.17  0.0  0.28  1.0
  Ti  Ti5  1  0.17  0.0  0.0  1.0

data_YTi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTi3
_chemical_formula_sum   'Y4 Ti12'
_cell_volume   323.63
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.3  1.0
  Y  Y1  2  0.0  0.0  0.58  1.0
  Ti  Ti2  4  0.09  0.09  0.17  1.0
  Ti  Ti3  4  0.09  0.09  0.89  1.0
  Ti  Ti4  2  0.0  0.0  0.05  1.0
  Ti  Ti5  2  0.0  0.0  0.82  1.0

Y Y Ti Ti Ti Ti Ti Ti