data_Tl2CdTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdTc
_chemical_formula_sum   'Tl2 Cd1 Tc1'
_cell_volume   94.18
_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  Tl2  1  0.59  0.59  0.87  1.0
  Tl  Tl3  1  0.0  0.0  0.44  1.0
  Cd  Cd0  1  0.59  0.59  0.11  1.0
  Tc  Tc1  1  0.0  0.0  0.92  1.0

data_Tl2CdTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CdTc
_chemical_formula_sum   'Tl4 Cd2 Tc2'
_cell_volume   188.36
_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  2  0.0  0.0  0.44  1.0
  Tl  Tl1  2  0.09  0.5  0.87  1.0
  Cd  Cd2  2  0.09  0.5  0.11  1.0
  Tc  Tc3  2  0.0  0.0  0.92  1.0

Tl Tl Cd Tc
Tl Tl Cd Tc 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o + 1 2 - - o 1 1 + o o 1 1 o + o 2 3 + + - 