data_YTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl3
_chemical_formula_sum   'Y2 Tl6'
_cell_volume   219.14
_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  0.42  0.09  0.11  1.0
  Y  Y7  1  0.42  0.91  0.37  1.0
  Tl  Tl0  1  0.42  0.93  0.11  1.0
  Tl  Tl1  1  0.42  0.07  0.37  1.0
  Tl  Tl2  1  0.13  0.0  0.11  1.0
  Tl  Tl3  1  0.7  1.0  0.37  1.0
  Tl  Tl4  1  0.13  1.0  0.37  1.0
  Tl  Tl5  1  0.7  0.0  0.11  1.0

data_YTl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.48
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   119.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YTl3
_chemical_formula_sum   'Y2 Tl6'
_cell_volume   219.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.0  0.91  1.0
  Tl  Tl1  2  0.13  0.0  0.07  1.0
  Tl  Tl2  2  0.13  0.28  1.0  1.0
  Tl  Tl3  2  0.13  0.72  1.0  1.0

Y Y Tl Tl Tl Tl Tl Tl
Y Y Tl Tl Tl Tl Tl Tl 0 2 o - o 0 4 o o o 1 3 o + o 1 5 o o o 2 7 o + o 3 6 o - o 4 6 o - o 5 7 o + o 