data_YTi2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.71
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Tl
_chemical_formula_sum   'Y1 Ti2 Tl1'
_cell_volume   88.84
_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  0.6  0.0  0.4  1.0
  Ti  Ti0  1  0.0  0.85  0.35  1.0
  Ti  Ti1  1  0.67  0.0  0.56  1.0
  Tl  Tl2  1  0.96  0.85  0.25  1.0

data_YTi2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.71
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Tl
_chemical_formula_sum   'Y1 Ti2 Tl1'
_cell_volume   88.84
_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  0.6  0.0  0.4  1.0
  Ti  Ti1  1  0.0  0.85  0.35  1.0
  Ti  Ti2  1  0.67  0.0  0.56  1.0
  Tl  Tl3  1  0.96  0.85  0.25  1.0

Y Ti Ti Tl