data_YTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2
_chemical_formula_sum   'Y3 Tl6'
_cell_volume   267.88
_cell_formula_units_Z   3
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  0.51  0.54  1.0
  Y  Y7  1  0.9  0.25  0.54  1.0
  Y  Y8  1  0.0  0.0  0.0  1.0
  Tl  Tl0  1  0.83  0.0  0.54  1.0
  Tl  Tl1  1  0.08  0.59  0.54  1.0
  Tl  Tl2  1  0.99  0.17  0.54  1.0
  Tl  Tl3  1  0.16  0.0  0.0  1.0
  Tl  Tl4  1  0.92  0.61  0.0  1.0
  Tl  Tl5  1  0.82  0.16  0.0  1.0

data_YTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.07
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2
_chemical_formula_sum   'Y3 Tl6'
_cell_volume   267.88
_cell_formula_units_Z   3
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  0.0  0.0  1.0
  Y  Y1  1  0.54  0.0  0.51  1.0
  Y  Y2  1  0.54  0.9  0.25  1.0
  Tl  Tl3  1  0.0  0.16  0.0  1.0
  Tl  Tl4  1  0.0  0.82  0.16  1.0
  Tl  Tl5  1  0.0  0.92  0.61  1.0
  Tl  Tl6  1  0.54  0.08  0.59  1.0
  Tl  Tl7  1  0.54  0.83  0.0  1.0
  Tl  Tl8  1  0.54  0.99  0.17  1.0

Y Y Y Tl Tl Tl Tl Tl Tl