data_TlCdB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   3.15
_cell_length_c   16.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdB3
_chemical_formula_sum   'Tl4 Cd4 B12'
_cell_volume   347.14
_cell_formula_units_Z   4
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  Tl16  1  0.26  0.79  0.18  1.0
  Tl  Tl17  1  0.7  0.37  0.89  1.0
  Tl  Tl18  1  0.38  0.37  0.39  1.0
  Tl  Tl19  1  0.94  0.79  0.68  1.0
  Cd  Cd12  1  0.44  0.79  0.67  1.0
  Cd  Cd13  1  0.53  0.37  0.96  1.0
  Cd  Cd14  1  0.21  0.37  0.9  1.0
  Cd  Cd15  1  0.11  0.79  0.62  1.0
  B  B0  1  0.46  0.79  0.62  1.0
  B  B1  1  0.51  0.37  0.91  1.0
  B  B2  1  0.18  0.37  0.95  1.0
  B  B3  1  0.14  0.79  0.66  1.0
  B  B4  1  0.39  0.79  0.52  1.0
  B  B5  1  0.57  0.37  0.23  1.0
  B  B6  1  0.25  0.37  0.06  1.0
  B  B7  1  0.07  0.79  0.35  1.0
  B  B8  1  0.49  0.79  0.93  1.0
  B  B9  1  0.48  0.37  0.64  1.0
  B  B10  1  0.15  0.37  0.65  1.0
  B  B11  1  0.17  0.79  0.94  1.0

data_TlCdB3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.15
_cell_length_b   6.64
_cell_length_c   16.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlCdB3
_chemical_formula_sum   'Tl4 Cd4 B12'
_cell_volume   347.14
_cell_formula_units_Z   4
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  0.21  0.44  0.39  1.0
  Tl  Tl1  2  0.21  0.12  0.89  1.0
  Cd  Cd2  2  0.21  0.61  0.88  1.0
  Cd  Cd3  2  0.21  0.29  0.83  1.0
  B  B4  2  0.21  0.57  0.73  1.0
  B  B5  2  0.21  0.64  0.84  1.0
  B  B6  2  0.21  0.67  0.14  1.0
  B  B7  2  0.21  0.25  0.56  1.0
  B  B8  2  0.21  0.32  0.88  1.0
  B  B9  2  0.21  0.35  0.15  1.0

Tl Tl Tl Tl Cd Cd Cd Cd B B B B B B B B B B B B