data_Tl2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   149.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2B
_chemical_formula_sum   'Tl4 B2'
_cell_volume   141.22
_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  Tl2  1  0.83  0.87  0.45  1.0
  Tl  Tl3  1  0.83  0.13  0.35  1.0
  Tl  Tl4  1  0.83  0.21  0.45  1.0
  Tl  Tl5  1  0.83  0.79  0.35  1.0
  B  B0  1  0.83  0.73  0.45  1.0
  B  B1  1  0.83  0.27  0.35  1.0

data_Tl2B
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.66
_cell_length_b   5.8
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tl2B
_chemical_formula_sum   'Tl4 B2'
_cell_volume   141.22
_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
  Tl  Tl0  2  0.13  0.55  0.13  1.0
  Tl  Tl1  2  0.21  0.45  0.21  1.0
  B  B2  2  0.27  0.55  0.27  1.0

Tl Tl Tl Tl B B