data_Tl3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   6.78
_cell_length_c   7.08
_cell_angle_alpha   62.47
_cell_angle_beta   56.76
_cell_angle_gamma   60.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3B2
_chemical_formula_sum   'Tl6 B4'
_cell_volume   243.03
_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
  Tl  Tl4  1  0.85  0.12  0.85  1.0
  Tl  Tl5  1  0.57  0.45  0.85  1.0
  Tl  Tl6  1  0.22  0.47  0.3  1.0
  Tl  Tl7  1  0.2  0.09  0.3  1.0
  Tl  Tl8  1  0.36  0.64  0.89  1.0
  Tl  Tl9  1  0.71  0.28  0.44  1.0
  B  B0  1  0.3  0.66  0.91  1.0
  B  B1  1  0.12  0.91  0.91  1.0
  B  B2  1  0.47  0.01  0.47  1.0
  B  B3  1  0.95  0.55  0.47  1.0

data_Tl3B2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   7.08
_cell_angle_alpha   117.53
_cell_angle_beta   117.53
_cell_angle_gamma   92.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3B2
_chemical_formula_sum   'Tl6 B4'
_cell_volume   243.03
_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
  Tl  Tl0  1  0.15  0.12  0.3  1.0
  Tl  Tl1  1  0.29  0.28  0.84  1.0
  Tl  Tl2  1  0.43  0.45  0.57  1.0
  Tl  Tl3  1  0.64  0.64  0.76  1.0
  Tl  Tl4  1  0.78  0.47  0.49  1.0
  Tl  Tl5  1  0.8  0.09  0.5  1.0
  B  B6  1  0.05  0.55  0.58  1.0
  B  B7  1  0.53  0.01  0.06  1.0
  B  B8  1  0.7  0.66  0.79  1.0
  B  B9  1  0.88  0.91  0.97  1.0

Tl Tl Tl Tl Tl Tl B B B B