data_TlCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   5.95
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdTe2
_chemical_formula_sum   'Tl1 Cd1 Te2'
_cell_volume   124.44
_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  0.87  0.97  0.71  1.0
  Cd  Cd0  1  0.25  0.0  0.18  1.0
  Te  Te1  1  0.37  0.97  0.76  1.0
  Te  Te2  1  0.46  0.0  0.12  1.0

data_TlCdTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.95
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdTe2
_chemical_formula_sum   'Tl1 Cd1 Te2'
_cell_volume   124.44
_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  0.87  0.97  0.71  1.0
  Cd  Cd1  1  0.25  0.0  0.18  1.0
  Te  Te2  1  0.37  0.97  0.76  1.0
  Te  Te3  1  0.46  0.0  0.12  1.0

Tl Cd Te Te