data_Tl2CdTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdTe
_chemical_formula_sum   'Tl2 Cd1 Te1'
_cell_volume   124.35
_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  0.54  0.0  0.41  1.0
  Tl  Tl3  1  0.0  0.54  0.41  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.54  0.54  0.0  1.0

data_Tl2CdTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CdTe
_chemical_formula_sum   'Tl4 Cd2 Te2'
_cell_volume   248.7
_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  0.27  0.27  0.41  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.04  0.5  0.0  1.0

Tl Tl Cd Te