data_Tl2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   103.69
_cell_angle_beta   103.69
_cell_angle_gamma   121.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2B
_chemical_formula_sum   'Tl4 B2'
_cell_volume   133.34
_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  0.16  0.33  0.74  1.0
  Tl  Tl3  1  0.33  0.16  0.0  1.0
  Tl  Tl4  1  0.16  0.64  0.0  1.0
  Tl  Tl5  1  0.33  0.84  0.74  1.0
  B  B0  1  0.0  0.0  0.37  1.0
  B  B1  1  0.0  0.0  0.12  1.0

data_Tl2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   76.31
_cell_angle_beta   60.89
_cell_angle_gamma   60.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2B
_chemical_formula_sum   'Tl4 B2'
_cell_volume   133.34
_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  0.1  0.74  0.49  1.0
  Tl  Tl1  1  0.16  0.0  0.17  1.0
  Tl  Tl2  1  0.58  0.74  0.83  1.0
  Tl  Tl3  1  0.64  0.0  0.51  1.0
  B  B4  1  0.63  0.37  0.0  1.0
  B  B5  1  0.88  0.12  0.0  1.0

Tl Tl Tl Tl B B