data_Y2TiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.95
_cell_angle_alpha   99.93
_cell_angle_beta   99.93
_cell_angle_gamma   36.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiTl
_chemical_formula_sum   'Y2 Ti1 Tl1'
_cell_volume   107.09
_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  0.67  0.0  0.45  1.0
  Y  Y3  1  0.78  0.0  0.4  1.0
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.72  0.0  0.92  1.0

data_Y2TiTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.54
_cell_length_c   5.95
_cell_angle_alpha   99.93
_cell_angle_beta   90.0
_cell_angle_gamma   108.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiTl
_chemical_formula_sum   'Y2 Ti1 Tl1'
_cell_volume   107.09
_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  Y0  1  0.0  0.22  0.6  1.0
  Y  Y1  1  0.0  0.33  0.55  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.28  0.08  1.0

Y Y Ti Tl
Y Y Ti Tl 0 1 o o o 2 3 - o - 