data_Tl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   146.42
_cell_angle_beta   132.86
_cell_angle_gamma   59.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Cd
_chemical_formula_sum   'Tl2 Cd1'
_cell_volume   84.89
_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  Tl1  1  0.0  0.0  0.49  1.0
  Tl  Tl2  1  0.0  0.0  0.87  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Tl2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.76
_cell_length_c   5.96
_cell_angle_alpha   113.57
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Cd
_chemical_formula_sum   'Tl2 Cd1'
_cell_volume   84.89
_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  0.49  0.49  1.0
  Tl  Tl1  1  0.0  0.87  0.87  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

Tl Tl Cd