data_Tl3B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3B5
_chemical_formula_sum   'Tl3 B5'
_cell_volume   149.86
_cell_formula_units_Z   1
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  Tl5  1  0.67  0.0  0.0  1.0
  Tl  Tl6  1  0.67  0.37  0.54  1.0
  Tl  Tl7  1  0.67  0.63  0.54  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.83  0.31  0.0  1.0
  B  B2  1  0.83  0.69  0.0  1.0
  B  B3  1  0.81  0.0  0.54  1.0
  B  B4  1  0.53  0.0  0.54  1.0

data_Tl3B5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   7.34
_cell_length_c   7.57
_cell_angle_alpha   118.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3B5
_chemical_formula_sum   'Tl3 B5'
_cell_volume   149.86
_cell_formula_units_Z   1
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  0.0  0.0  0.67  1.0
  Tl  Tl1  1  0.54  0.37  0.04  1.0
  Tl  Tl2  1  0.54  0.63  0.3  1.0
  B  B3  1  0.0  0.0  0.0  1.0
  B  B4  1  0.0  0.31  0.15  1.0
  B  B5  1  0.0  0.69  0.52  1.0
  B  B6  1  0.54  0.0  0.53  1.0
  B  B7  1  0.54  0.0  0.81  1.0

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