data_Yb2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   5.33
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2Tl
_chemical_formula_sum   'Yb8 Tl4'
_cell_volume   379.33
_cell_formula_units_Z   4
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
  Yb  Yb0  1  0.83  0.33  0.27  1.0
  Yb  Yb1  1  0.39  1.0  0.59  1.0
  Yb  Yb2  1  0.99  1.0  0.97  1.0
  Yb  Yb3  1  0.23  0.33  0.89  1.0
  Yb  Yb4  1  0.22  0.33  0.66  1.0
  Yb  Yb5  1  0.0  1.0  0.2  1.0
  Yb  Yb6  1  0.38  1.0  0.96  1.0
  Yb  Yb7  1  0.84  0.33  0.9  1.0
  Tl  Tl8  1  0.64  0.33  0.82  1.0
  Tl  Tl9  1  0.96  1.0  0.76  1.0
  Tl  Tl10  1  0.25  0.33  0.11  1.0
  Tl  Tl11  1  0.57  1.0  0.04  1.0

data_Yb2Tl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.33
_cell_length_b   7.22
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Yb2Tl
_chemical_formula_sum   'Yb8 Tl4'
_cell_volume   379.33
_cell_formula_units_Z   4
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
  Yb  Yb0  2  0.33  0.38  0.04  1.0
  Yb  Yb1  2  0.33  0.77  0.03  1.0
  Yb  Yb2  2  0.33  0.39  0.27  1.0
  Yb  Yb3  2  0.33  0.78  0.66  1.0
  Tl  Tl4  2  0.33  0.36  0.82  1.0
  Tl  Tl5  2  0.33  0.96  0.11  1.0

Yb Yb Yb Yb Yb Yb Yb Yb Tl Tl Tl Tl
Yb Yb Yb Yb Yb Yb Yb Yb Tl Tl Tl Tl 0 5 + - o 1 4 o + o 2 7 o + o 2 9 o o o 2 3 + + o 2 5 + o + 3 4 o o o 3 6 o - o 3 10 o o + 4 9 - - o 5 10 o + o 6 11 o o + 6 10 o + + 7 8 o o o 7 9 o - o 