data_TlSn2B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   122.5
_cell_angle_beta   122.5
_cell_angle_gamma   85.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2B5
_chemical_formula_sum   'Tl2 Sn4 B10'
_cell_volume   247.9
_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  Tl14  1  0.0  0.0  0.86  1.0
  Tl  Tl15  1  0.0  0.0  0.62  1.0
  Sn  Sn10  1  0.09  0.34  0.0  1.0
  Sn  Sn11  1  0.34  0.09  0.24  1.0
  Sn  Sn12  1  0.34  0.78  0.0  1.0
  Sn  Sn13  1  0.09  0.66  0.24  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.0  0.24  1.0
  B  B2  1  0.05  0.39  0.03  1.0
  B  B3  1  0.83  0.61  0.03  1.0
  B  B4  1  0.39  0.83  0.03  1.0
  B  B5  1  0.61  0.05  0.03  1.0
  B  B6  1  0.83  0.39  0.22  1.0
  B  B7  1  0.05  0.61  0.22  1.0
  B  B8  1  0.61  0.83  0.22  1.0
  B  B9  1  0.39  0.05  0.22  1.0

data_TlSn2B5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   7.15
_cell_angle_alpha   118.75
_cell_angle_beta   118.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2B5
_chemical_formula_sum   'Tl2 Sn4 B10'
_cell_volume   247.9
_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  0.14  0.0  0.14  1.0
  Tl  Tl1  1  0.38  0.0  0.38  1.0
  Sn  Sn2  1  0.34  0.34  0.44  1.0
  Sn  Sn3  1  0.41  0.66  0.51  1.0
  Sn  Sn4  1  0.78  0.78  0.13  1.0
  Sn  Sn5  1  0.85  0.09  0.2  1.0
  B  B6  1  0.0  0.0  0.0  1.0
  B  B7  1  0.02  0.05  0.63  1.0
  B  B8  1  0.18  0.39  0.01  1.0
  B  B9  1  0.37  0.39  0.41  1.0
  B  B10  1  0.39  0.61  0.44  1.0
  B  B11  1  0.58  0.61  0.41  1.0
  B  B12  1  0.62  0.83  0.22  1.0
  B  B13  1  0.76  0.0  0.76  1.0
  B  B14  1  0.81  0.83  0.2  1.0
  B  B15  1  0.83  0.05  0.22  1.0

Tl Tl Sn Sn Sn Sn B B B B B B B B B B
Tl Tl Sn Sn Sn Sn B B B B B B B B B B 0 6 o o + 0 1 o o o 2 8 o o o 3 15 o o o 4 10 o o o 4 11 o + o 4 14 o o o 5 13 o o o 5 9 - o o 5 12 - o o 6 7 o o o 7 11 - o o 8 12 - o o 9 13 + o o 9 12 o o o 10 11 o + o 10 14 o o o 11 15 o o o 11 14 o - o 11 12 o o o 12 13 + o o 