data_YTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   130.99
_cell_angle_beta   130.99
_cell_angle_gamma   71.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi3
_chemical_formula_sum   'Y1 Ti3'
_cell_volume   80.22
_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  Y3  1  0.0  0.0  0.24  1.0
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.17  0.0  0.12  1.0
  Ti  Ti2  1  0.0  0.17  0.12  1.0

data_YTi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   125.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTi3
_chemical_formula_sum   'Y2 Ti6'
_cell_volume   160.43
_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+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  0.26  0.5  0.76  1.0
  Ti  Ti1  4  0.46  0.41  0.05  1.0
  Ti  Ti2  2  0.0  0.0  0.0  1.0

Y Ti Ti Ti