data_Tl4Cd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   95.34
_cell_angle_beta   95.34
_cell_angle_gamma   144.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Cd5
_chemical_formula_sum   'Tl4 Cd5'
_cell_volume   242.85
_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  0.0  0.94  0.0  1.0
  Tl  Tl6  1  0.0  0.29  0.0  1.0
  Tl  Tl7  1  0.29  0.0  0.0  1.0
  Tl  Tl8  1  0.94  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.35  0.65  0.32  1.0
  Cd  Cd2  1  0.65  0.35  0.32  1.0
  Cd  Cd3  1  0.47  0.47  0.0  1.0
  Cd  Cd4  1  0.65  0.65  0.32  1.0

data_Tl4Cd5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   14.48
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl4Cd5
_chemical_formula_sum   'Tl8 Cd10'
_cell_volume   485.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.03  0.03  -0.0  1.0
  Tl  Tl1  4  0.35  0.35  -0.0  1.0
  Cd  Cd2  4  0.32  0.35  0.32  1.0
  Cd  Cd3  2  0.0  0.0  0.0  1.0
  Cd  Cd4  2  0.03  0.5  0.0  1.0
  Cd  Cd5  2  0.17  0.5  0.32  1.0

Tl Tl Tl Tl Cd Cd Cd Cd Cd
Tl Tl Tl Tl Cd Cd Cd Cd Cd 0 4 o + o 0 2 o + o 0 7 o + o 0 7 - o o 1 4 o o o 1 3 - o o 1 5 o o o 1 7 o o o 2 4 o o o 2 6 o o o 2 7 o o o 3 4 + o o 3 7 + o o 3 7 o - o 4 7 o o o 4 7 - - o 5 8 o o o 6 8 o o o 7 8 o o o 