data_TlCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.14
_cell_angle_alpha   90.53
_cell_angle_beta   90.53
_cell_angle_gamma   27.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdTe2
_chemical_formula_sum   'Tl1 Cd1 Te2'
_cell_volume   130.4
_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  Tl3  1  0.52  0.0  0.42  1.0
  Cd  Cd0  1  0.07  0.0  0.02  1.0
  Te  Te1  1  0.92  0.0  0.52  1.0
  Te  Te2  1  0.08  0.0  0.4  1.0

data_TlCdTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.14
_cell_length_c   6.74
_cell_angle_alpha   90.53
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdTe2
_chemical_formula_sum   'Tl1 Cd1 Te2'
_cell_volume   130.4
_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  0.42  0.52  1.0
  Cd  Cd1  1  0.0  0.02  0.07  1.0
  Te  Te2  1  0.0  0.4  0.08  1.0
  Te  Te3  1  0.0  0.52  0.92  1.0

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